2-[2-(4-chlorophenyl)phenyl]-9-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol

C33H23ClO — CID 134253362

IUPAC2-[2-(4-chlorophenyl)phenyl]-9-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
SMILESOC1(c2ccccc2-c2ccc(Cl)cc2)c2ccccc2C=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C33H23ClO/c34-26-20-18-24(19-21-26)27-13-5-8-16-31(27)33(35)30-15-7-4-12-25(30)22-29(23-10-2-1-3-11-23)28-14-6-9-17-32(28)33/h1-22,35H
InChIKeyVVKWVKJWEKAVBO-UHFFFAOYSA-N
MW471.00 g/mol
LogP8.19
Rot. Bonds3

About 2-[2-(4-chlorophenyl)phenyl]-9-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol

2-[2-(4-chlorophenyl)phenyl]-9-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol (PubChem CID 134253362) has the molecular formula C33H23ClO and a molecular weight of 471.00 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)phenyl]-9-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)phenyl]-9-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
PubChem CID134253362
Molecular FormulaC33H23ClO
Molecular Weight471.00 g/mol
Exact Mass470.14
IUPAC Name2-[2-(4-chlorophenyl)phenyl]-9-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
SMILESOC1(c2ccccc2-c2ccc(Cl)cc2)c2ccccc2C=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C33H23ClO/c34-26-20-18-24(19-21-26)27-13-5-8-16-31(27)33(35)30-15-7-4-12-25(30)22-29(23-10-2-1-3-11-23)28-14-6-9-17-32(28)33/h1-22,35H
InChIKeyVVKWVKJWEKAVBO-UHFFFAOYSA-N
XLogP8.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.00
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-chlorophenyl)phenyl]-9-(4-fluorophenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 134253360
2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 130260461
9-[2-(4-chlorophenyl)phenyl]-2,7-bis(3-phenylphenyl)fluoren-9-ol
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2-[2-(4-chlorophenyl)phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ol
CID 142556602
2-chloro-11-(2-phenylphenyl)benzo[b]fluoren-11-ol
CID 134194053
4-(4-chlorophenyl)-1,1-dimethyl-2-propan-2-ylidenenaphthalene
CID 25135457
9-[5-chloro-2-(4-chlorophenyl)phenyl]-10,10-diphenylanthracen-9-ol
CID 142598749
2-[2-[2-(2-hydroxy-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)phenyl]phenyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
CID 134854080
17,24-bis(2-phenylphenyl)hexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene-17,24-diol
CID 89216058
9-(2-bromophenyl)-4-phenylfluoren-9-ol
CID 118049400
3-bromo-10,10-dimethyl-9-(2-phenylphenyl)anthracen-9-ol
CID 142567776
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)phenyl]-9-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol?
The IUPAC name of 2-[2-(4-chlorophenyl)phenyl]-9-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol (CID 134253362) is 2-[2-(4-chlorophenyl)phenyl]-9-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol.
What is the SMILES notation for 2-[2-(4-chlorophenyl)phenyl]-9-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol?
The canonical SMILES for 2-[2-(4-chlorophenyl)phenyl]-9-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol is OC1(c2ccccc2-c2ccc(Cl)cc2)c2ccccc2C=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 2-[2-(4-chlorophenyl)phenyl]-9-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol?
The InChIKey is VVKWVKJWEKAVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23ClO/c34-26-20-18-24(19-21-26)27-13-5-8-16-31(27)33(35)30-15-7-4-12-25(30)22-29(23-10-2-1-3-11-23)28-14-6-9-17-32(28)33/h1-22,35H.
What are the key properties of 2-[2-(4-chlorophenyl)phenyl]-9-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol?
2-[2-(4-chlorophenyl)phenyl]-9-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol has a molecular weight of 471.00 g/mol, XLogP of 8.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)phenyl]-9-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol is sourced from PubChem (CID 134253362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).