(1R,4S,5R,8S)-9,10,11,12-tetraphenyltetracyclo[6.4.0.04,12.05,9]dodec-10-ene

C36H32 — CID 177493569

IUPAC(1R,4S,5R,8S)-9,10,11,12-tetraphenyltetracyclo[6.4.0.04,12.05,9]dodec-10-ene
SMILESc1ccc(C2=C(c3ccccc3)C3(c4ccccc4)[C@@H]4CC[C@H]3[C@H]3CC[C@@H]4C23c2ccccc2)cc1
InChIInChI=1S/C36H32/c1-5-13-25(14-6-1)33-34(26-15-7-2-8-16-26)36(28-19-11-4-12-20-28)31-23-24-32(36)30-22-21-29(31)35(30,33)27-17-9-3-10-18-27/h1-20,29-32H,21-24H2/t29-,30+,31+,32-,35?,36?
InChIKeyFIDAJQPTLZOJEM-GSQDJVKWSA-N
MW464.65 g/mol
LogP8.55
Rot. Bonds4

About (1R,4S,5R,8S)-9,10,11,12-tetraphenyltetracyclo[6.4.0.04,12.05,9]dodec-10-ene

(1R,4S,5R,8S)-9,10,11,12-tetraphenyltetracyclo[6.4.0.04,12.05,9]dodec-10-ene (PubChem CID 177493569) has the molecular formula C36H32 and a molecular weight of 464.65 g/mol. Its IUPAC name is (1R,4S,5R,8S)-9,10,11,12-tetraphenyltetracyclo[6.4.0.04,12.05,9]dodec-10-ene.

Molecular Properties

Compound Name(1R,4S,5R,8S)-9,10,11,12-tetraphenyltetracyclo[6.4.0.04,12.05,9]dodec-10-ene
PubChem CID177493569
Molecular FormulaC36H32
Molecular Weight464.65 g/mol
Exact Mass464.25
IUPAC Name(1R,4S,5R,8S)-9,10,11,12-tetraphenyltetracyclo[6.4.0.04,12.05,9]dodec-10-ene
SMILESc1ccc(C2=C(c3ccccc3)C3(c4ccccc4)[C@@H]4CC[C@H]3[C@H]3CC[C@@H]4C23c2ccccc2)cc1
InChIInChI=1S/C36H32/c1-5-13-25(14-6-1)33-34(26-15-7-2-8-16-26)36(28-19-11-4-12-20-28)31-23-24-32(36)30-22-21-29(31)35(30,33)27-17-9-3-10-18-27/h1-20,29-32H,21-24H2/t29-,30+,31+,32-,35?,36?
InChIKeyFIDAJQPTLZOJEM-GSQDJVKWSA-N
XLogP8.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.65
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1R,4S,5R,8S)-9,10,11,12-tetraphenyltetracyclo[6.4.0.04,12.05,9]dodec-10-ene with MolForge

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Related Compounds

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CID 98509814
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CID 73293536
[(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene
CID 100931572
(1S,2R,5S,6R,7S,9S)-1,6-diphenyl-10,11-diazatetracyclo[4.3.2.02,5.07,9]undec-10-ene
CID 124909462
(1S,2R,5S,6S,7S,9S)-1,6-diphenyl-10,11-diazatetracyclo[4.3.2.02,5.07,9]undec-10-ene
CID 98554631
1,1'-biphenyl;indigane
CID 174363765
N,N-dimethyl-1,2,3-triphenylcycloprop-2-en-1-amine
CID 616519
(1,2,3,5-tetraphenylcyclopent-2-en-1-yl)benzene
CID 102351980
(1R,2R,6R,7S)-10,10-diphenyl-3,4-dioxatricyclo[5.2.1.02,6]decan-5-one
CID 98509801
(1R,5R)-6-phenylbicyclo[3.2.0]heptan-6-ol
CID 135044945
[(1S,3R)-2,3-diphenyl-2-(1,2,3-triphenylcycloprop-2-en-1-yl)cyclopropyl]benzene
CID 101078426
(2S,5R)-2,4,5-triphenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
CID 7471917

Frequently Asked Questions

What is the IUPAC name of (1R,4S,5R,8S)-9,10,11,12-tetraphenyltetracyclo[6.4.0.04,12.05,9]dodec-10-ene?
The IUPAC name of (1R,4S,5R,8S)-9,10,11,12-tetraphenyltetracyclo[6.4.0.04,12.05,9]dodec-10-ene (CID 177493569) is (1R,4S,5R,8S)-9,10,11,12-tetraphenyltetracyclo[6.4.0.04,12.05,9]dodec-10-ene.
What is the SMILES notation for (1R,4S,5R,8S)-9,10,11,12-tetraphenyltetracyclo[6.4.0.04,12.05,9]dodec-10-ene?
The canonical SMILES for (1R,4S,5R,8S)-9,10,11,12-tetraphenyltetracyclo[6.4.0.04,12.05,9]dodec-10-ene is c1ccc(C2=C(c3ccccc3)C3(c4ccccc4)[C@@H]4CC[C@H]3[C@H]3CC[C@@H]4C23c2ccccc2)cc1.
What is the InChIKey of (1R,4S,5R,8S)-9,10,11,12-tetraphenyltetracyclo[6.4.0.04,12.05,9]dodec-10-ene?
The InChIKey is FIDAJQPTLZOJEM-GSQDJVKWSA-N. The full InChI is InChI=1S/C36H32/c1-5-13-25(14-6-1)33-34(26-15-7-2-8-16-26)36(28-19-11-4-12-20-28)31-23-24-32(36)30-22-21-29(31)35(30,33)27-17-9-3-10-18-27/h1-20,29-32H,21-24H2/t29-,30+,31+,32-,35?,36?.
What are the key properties of (1R,4S,5R,8S)-9,10,11,12-tetraphenyltetracyclo[6.4.0.04,12.05,9]dodec-10-ene?
(1R,4S,5R,8S)-9,10,11,12-tetraphenyltetracyclo[6.4.0.04,12.05,9]dodec-10-ene has a molecular weight of 464.65 g/mol, XLogP of 8.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,5R,8S)-9,10,11,12-tetraphenyltetracyclo[6.4.0.04,12.05,9]dodec-10-ene is sourced from PubChem (CID 177493569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).