[(1S,3R)-2,3-diphenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)cyclopropyl]benzene

C42H32 — CID 101078426

IUPAC[(1S,3R)-2,3-diphenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)cyclopropyl]benzene
SMILESc1ccc(C2=C(c3ccccc3)C2(c2ccccc2)C2(c3ccccc3)[C@H](c3ccccc3)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C42H32/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)41(37,35-27-15-5-16-28-35)42(36-29-17-6-18-30-36)39(33-23-11-3-12-24-33)40(42)34-25-13-4-14-26-34/h1-30,37-38H/t37-,38+,41?
InChIKeyWHNGAMPVROMPEU-IVNORFTDSA-N
MW536.72 g/mol
LogP10.07
Rot. Bonds7

About [(1S,3R)-2,3-diphenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)cyclopropyl]benzene

[(1S,3R)-2,3-diphenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)cyclopropyl]benzene (PubChem CID 101078426) has the molecular formula C42H32 and a molecular weight of 536.72 g/mol. Its IUPAC name is [(1S,3R)-2,3-diphenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)cyclopropyl]benzene.

Molecular Properties

Compound Name[(1S,3R)-2,3-diphenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)cyclopropyl]benzene
PubChem CID101078426
Molecular FormulaC42H32
Molecular Weight536.72 g/mol
Exact Mass536.25
IUPAC Name[(1S,3R)-2,3-diphenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)cyclopropyl]benzene
SMILESc1ccc(C2=C(c3ccccc3)C2(c2ccccc2)C2(c3ccccc3)[C@H](c3ccccc3)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C42H32/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)41(37,35-27-15-5-16-28-35)42(36-29-17-6-18-30-36)39(33-23-11-3-12-24-33)40(42)34-25-13-4-14-26-34/h1-30,37-38H/t37-,38+,41?
InChIKeyWHNGAMPVROMPEU-IVNORFTDSA-N
XLogP10.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.72
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-2,3-diphenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)cyclopropyl]benzene?
The IUPAC name of [(1S,3R)-2,3-diphenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)cyclopropyl]benzene (CID 101078426) is [(1S,3R)-2,3-diphenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)cyclopropyl]benzene.
What is the SMILES notation for [(1S,3R)-2,3-diphenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)cyclopropyl]benzene?
The canonical SMILES for [(1S,3R)-2,3-diphenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)cyclopropyl]benzene is c1ccc(C2=C(c3ccccc3)C2(c2ccccc2)C2(c3ccccc3)[C@H](c3ccccc3)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of [(1S,3R)-2,3-diphenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)cyclopropyl]benzene?
The InChIKey is WHNGAMPVROMPEU-IVNORFTDSA-N. The full InChI is InChI=1S/C42H32/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)41(37,35-27-15-5-16-28-35)42(36-29-17-6-18-30-36)39(33-23-11-3-12-24-33)40(42)34-25-13-4-14-26-34/h1-30,37-38H/t37-,38+,41?.
What are the key properties of [(1S,3R)-2,3-diphenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)cyclopropyl]benzene?
[(1S,3R)-2,3-diphenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)cyclopropyl]benzene has a molecular weight of 536.72 g/mol, XLogP of 10.07, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-2,3-diphenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)cyclopropyl]benzene is sourced from PubChem (CID 101078426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).