1-[(1R,2R)-2-phenanthren-1-yl-1,2-diphenylethyl]phenanthrene

Formula:C42H30 Mutagenic:low Tumorigenic:high Reproductive Effective:none 1-[(1R,2R)-2-phenanthren-1-yl-1,2-diphenylethyl]phenanthrene is not a drug-like molecule.

MolName	1-[(1R,2R)-2-phenanthren-1-yl-1,2-diphenylethyl]phenanthrene
MolecularFormula	C42H30
Smiles	c1ccc([C@@H]([C@H](c2ccccc2)c2cccc3c(cccc4)c4ccc23)c2cccc3c(cccc4)c4ccc23)cc1
InChI	InChI=1S/C42H30/c1-3-15-31(16-4-1)41(39-23-11-21-35-33-19-9-7-13-29(33)25-27-37(35)39)42(32-17-5-2-6-18-32)40-24-12-22-36-34-20-10-8-14-30(34)26-28-38(36)40/h1-28,41-42H/t41-,42-/m1/s1
InChIK	RFUAXVYDNSFUAI-NCRNUEESSA-N
TotalMolweight	534.7
Molweight	534.7
MonoisotopicMass	534.23475
CLogP	11.694
CLogS	-11.976
TotalSurfaceArea	415.94
Druglikeness	-0.9
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.38095
Fragments	1
Non HAtoms	42
StereoCenters	2
Rotatable Bond	5
Rings Closures	8
Small Rings	8
Aromatic Rings	8
Aromatic Atoms	40
Sp3Atoms	2
Symmetricatoms	23
StereoCon	this enantiomer

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1 - 1-[(1R,2R)-2-phenanthren-1-yl-1,2-diphenylethyl]phenanthrene | 2 - 1-[(1R,2R)-2-phenanthren-1-yl-1,2-diphenylethyl]phenanthrene

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