(6Z,12Z)-6,12-diphenyl-2,8-bis[2-(4-phenylpiperazin-1-yl)ethoxy]benzo[c][1,5]benzodiazocine

Formula:C50H50N6O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (6Z,12Z)-6,12-diphenyl-2,8-bis[2-(4-phenylpiperazin-1-yl)ethoxy]benzo[c][1,5]benzodiazocine is not a drug-like molecule.

MolName	(6Z,12Z)-6,12-diphenyl-2,8-bis[2-(4-phenylpiperazin-1-yl)ethoxy]benzo[c][1,5]benzodiazocine
MolecularFormula	C50H50N6O2
Smiles	C(COC1=C/C2=C(\c3ccccc3)/N=C(/C=CC(OCCN(CC3)CCN3c3ccccc3)=C3)\C3=C(\c3ccccc3)/N=C2/C=C1)N(CC1)CCN1c1ccccc1
InChI	InChI=1S/C50H50N6O2/c1-5-13-39(14-6-1)49-45-37-43(57-35-33-53-25-29-55(30-26-53)41-17-9-3-10-18-41)21-23-47(45)52-50(40-15-7-2-8-16-40)46-38-44(22-24-48(46)51-49)58-36-34-54-27-31-56(32-28-54)42-19-11-4-12-20-42/h1-24,37-38H,25-36H2
InChIK	ATMCXKDVUCXZNO-UHFFFAOYSA-N
TotalMolweight	766.987
Molweight	766.987
MonoisotopicMass	766.399524
CLogP	7.0372
CLogS	-6.626
H Acceptors	8
TotalSurfaceArea	605.56
Relative PSA	0.094491
PolarSurfaceArea	56.14
Druglikeness	6.4181
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53448
Fragments	1
Non HAtoms	58
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	12
Rings Closures	9
Small Rings	8
Aromatic Rings	4
Aromatic Atoms	24
Sp3Atoms	16
Symmetricatoms	35
Amines	4
AlkylAmines	2
Aromatic Amines	2
BasicNitrogens	4
StereoCon

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1 - (6Z,12Z)-6,12-diphenyl-2,8-bis[2-(4-phenylpiperazin-1-yl)ethoxy]benzo[c][1,5]benzodiazocine | 2 - (6Z,12Z)-6,12-diphenyl-2,8-bis[2-(4-phenylpiperazin-1-yl)ethoxy]benzo[c][1,5]benzodiazocine

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