5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-carbaldehyde

Formula:C45H30N4O Mutagenic:none Tumorigenic:none Reproductive Effective:none 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-carbaldehyde is not a drug-like molecule.

MolName	5,10,15,20-tetraphenyl-21,22-dihydroporphyrin-2-carbaldehyde
MolecularFormula	C45H30N4O
Smiles	O=Cc1c(/C(/c2ccccc2)=C(/C=C2)\N=C2/C(/c2ccccc2)=C(/C=C2)\N=C2/C(/c2ccccc2)=C(/C=C2)\N/C2=C2/c3ccccc3)[nH]c2c1
InChI	InChI=1S/C45H30N4O/c50-28-33-27-40-43(31-17-9-3-10-18-31)38-24-23-36(47-38)41(29-13-5-1-6-14-29)34-21-22-35(46-34)42(30-15-7-2-8-16-30)37-25-26-39(48-37)44(45(33)49-40)32-19-11-4-12-20-32/h1-28,47,49H
InChIK	KOVOXKRZCBOCME-UHFFFAOYSA-N
TotalMolweight	642.76
Molweight	642.76
MonoisotopicMass	642.241961
CLogP	5.7549
CLogS	-8.989
H Acceptors	5
H Donors	2
TotalSurfaceArea	495.99
Relative PSA	0.12401
PolarSurfaceArea	69.61
Druglikeness	-1.0949
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.34
Fragments	1
Non HAtoms	50
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	9
Small Rings	8
Aromatic Rings	5
Aromatic Atoms	29
Symmetricatoms	8
Aromatic Nitrogens	1
BasicNitrogens	2
StereoCon

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