2-(4-cycloocta-1,3,7-trien-1-ylphenyl)-2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene

C35H30 — CID 123521106

IUPAC2-(4-cycloocta-1,3,7-trien-1-ylphenyl)-2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
SMILESC1=CCCC=CC(c2ccc(C3(c4ccccc4)c4ccccc4CCc4ccccc43)cc2)=C1
InChIInChI=1S/C35H30/c1-2-5-13-27(14-6-3-1)28-23-25-32(26-24-28)35(31-17-7-4-8-18-31)33-19-11-9-15-29(33)21-22-30-16-10-12-20-34(30)35/h2,4-20,23-26H,1,3,21-22H2
InChIKeyGVQGKLKBEPZZGX-UHFFFAOYSA-N
MW450.63 g/mol
LogP8.46
Rot. Bonds3

About 2-(4-cycloocta-1,3,7-trien-1-ylphenyl)-2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene

2-(4-cycloocta-1,3,7-trien-1-ylphenyl)-2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene (PubChem CID 123521106) has the molecular formula C35H30 and a molecular weight of 450.63 g/mol. Its IUPAC name is 2-(4-cycloocta-1,3,7-trien-1-ylphenyl)-2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene.

Molecular Properties

Compound Name2-(4-cycloocta-1,3,7-trien-1-ylphenyl)-2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
PubChem CID123521106
Molecular FormulaC35H30
Molecular Weight450.63 g/mol
Exact Mass450.23
IUPAC Name2-(4-cycloocta-1,3,7-trien-1-ylphenyl)-2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
SMILESC1=CCCC=CC(c2ccc(C3(c4ccccc4)c4ccccc4CCc4ccccc43)cc2)=C1
InChIInChI=1S/C35H30/c1-2-5-13-27(14-6-3-1)28-23-25-32(26-24-28)35(31-17-7-4-8-18-31)33-19-11-9-15-29(33)21-22-30-16-10-12-20-34(30)35/h2,4-20,23-26H,1,3,21-22H2
InChIKeyGVQGKLKBEPZZGX-UHFFFAOYSA-N
XLogP8.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.63
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(4-cycloocta-1,3,7-trien-1-ylphenyl)-2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene with MolForge

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Related Compounds

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2-cyclohexa-1,5-dien-1-yl-4-[11-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-6-phenylpyrimidine
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CID 143607830
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cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
9-(9,9-diphenyl-7,8-dihydrofluoren-2-yl)-9-(4-methylphenyl)fluorene
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1,2-dihydronaphthalene
CID 9938
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CID 161389674
7,8,9,10-tetrahydrobenzo[8]annulene
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Frequently Asked Questions

What is the IUPAC name of 2-(4-cycloocta-1,3,7-trien-1-ylphenyl)-2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The IUPAC name of 2-(4-cycloocta-1,3,7-trien-1-ylphenyl)-2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene (CID 123521106) is 2-(4-cycloocta-1,3,7-trien-1-ylphenyl)-2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene.
What is the SMILES notation for 2-(4-cycloocta-1,3,7-trien-1-ylphenyl)-2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The canonical SMILES for 2-(4-cycloocta-1,3,7-trien-1-ylphenyl)-2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene is C1=CCCC=CC(c2ccc(C3(c4ccccc4)c4ccccc4CCc4ccccc43)cc2)=C1.
What is the InChIKey of 2-(4-cycloocta-1,3,7-trien-1-ylphenyl)-2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The InChIKey is GVQGKLKBEPZZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30/c1-2-5-13-27(14-6-3-1)28-23-25-32(26-24-28)35(31-17-7-4-8-18-31)33-19-11-9-15-29(33)21-22-30-16-10-12-20-34(30)35/h2,4-20,23-26H,1,3,21-22H2.
What are the key properties of 2-(4-cycloocta-1,3,7-trien-1-ylphenyl)-2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
2-(4-cycloocta-1,3,7-trien-1-ylphenyl)-2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene has a molecular weight of 450.63 g/mol, XLogP of 8.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cycloocta-1,3,7-trien-1-ylphenyl)-2-phenyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene is sourced from PubChem (CID 123521106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).