4-[4-ethyl-3-(2-methylphenyl)phenyl]-8-methyl-10-(3-phenylphenyl)tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene

C43H38 — CID 145306482

IUPAC4-[4-ethyl-3-(2-methylphenyl)phenyl]-8-methyl-10-(3-phenylphenyl)tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
SMILESCCc1ccc(-c2ccc3c(c2)-c2ccccc2C(c2cccc(-c4ccccc4)c2)CC3C)cc1-c1ccccc1C
InChIInChI=1S/C43H38/c1-4-31-21-22-34(27-42(31)37-18-9-8-13-29(37)2)35-23-24-38-30(3)25-41(39-19-10-11-20-40(39)43(38)28-35)36-17-12-16-33(26-36)32-14-6-5-7-15-32/h5-24,26-28,30,41H,4,25H2,1-3H3
InChIKeyOVDCXDMAUPJMSQ-UHFFFAOYSA-N
MW554.78 g/mol
LogP11.86
Rot. Bonds5

About 4-[4-ethyl-3-(2-methylphenyl)phenyl]-8-methyl-10-(3-phenylphenyl)tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene

4-[4-ethyl-3-(2-methylphenyl)phenyl]-8-methyl-10-(3-phenylphenyl)tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene (PubChem CID 145306482) has the molecular formula C43H38 and a molecular weight of 554.78 g/mol. Its IUPAC name is 4-[4-ethyl-3-(2-methylphenyl)phenyl]-8-methyl-10-(3-phenylphenyl)tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene.

Molecular Properties

Compound Name4-[4-ethyl-3-(2-methylphenyl)phenyl]-8-methyl-10-(3-phenylphenyl)tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
PubChem CID145306482
Molecular FormulaC43H38
Molecular Weight554.78 g/mol
Exact Mass554.30
IUPAC Name4-[4-ethyl-3-(2-methylphenyl)phenyl]-8-methyl-10-(3-phenylphenyl)tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
SMILESCCc1ccc(-c2ccc3c(c2)-c2ccccc2C(c2cccc(-c4ccccc4)c2)CC3C)cc1-c1ccccc1C
InChIInChI=1S/C43H38/c1-4-31-21-22-34(27-42(31)37-18-9-8-13-29(37)2)35-23-24-38-30(3)25-41(39-19-10-11-20-40(39)43(38)28-35)36-17-12-16-33(26-36)32-14-6-5-7-15-32/h5-24,26-28,30,41H,4,25H2,1-3H3
InChIKeyOVDCXDMAUPJMSQ-UHFFFAOYSA-N
XLogP11.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.78
LogP ≤ 511.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-[4-ethyl-3-(2-methylphenyl)phenyl]-8-methyl-10-(3-phenylphenyl)tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-ethyl-3-(2-methylphenyl)phenyl]-8-methyl-10-(3-phenylphenyl)tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The IUPAC name of 4-[4-ethyl-3-(2-methylphenyl)phenyl]-8-methyl-10-(3-phenylphenyl)tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene (CID 145306482) is 4-[4-ethyl-3-(2-methylphenyl)phenyl]-8-methyl-10-(3-phenylphenyl)tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene.
What is the SMILES notation for 4-[4-ethyl-3-(2-methylphenyl)phenyl]-8-methyl-10-(3-phenylphenyl)tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The canonical SMILES for 4-[4-ethyl-3-(2-methylphenyl)phenyl]-8-methyl-10-(3-phenylphenyl)tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene is CCc1ccc(-c2ccc3c(c2)-c2ccccc2C(c2cccc(-c4ccccc4)c2)CC3C)cc1-c1ccccc1C.
What is the InChIKey of 4-[4-ethyl-3-(2-methylphenyl)phenyl]-8-methyl-10-(3-phenylphenyl)tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The InChIKey is OVDCXDMAUPJMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38/c1-4-31-21-22-34(27-42(31)37-18-9-8-13-29(37)2)35-23-24-38-30(3)25-41(39-19-10-11-20-40(39)43(38)28-35)36-17-12-16-33(26-36)32-14-6-5-7-15-32/h5-24,26-28,30,41H,4,25H2,1-3H3.
What are the key properties of 4-[4-ethyl-3-(2-methylphenyl)phenyl]-8-methyl-10-(3-phenylphenyl)tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
4-[4-ethyl-3-(2-methylphenyl)phenyl]-8-methyl-10-(3-phenylphenyl)tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene has a molecular weight of 554.78 g/mol, XLogP of 11.86, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-3-(2-methylphenyl)phenyl]-8-methyl-10-(3-phenylphenyl)tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene is sourced from PubChem (CID 145306482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).