1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene

C30H24 — CID 174079697

IUPAC1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene
SMILESC1=CC(c2ccc(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)=CCC1
InChIInChI=1S/C30H24/c1-5-13-23(14-6-1)27-21-22-28(24-15-7-2-8-16-24)30(26-19-11-4-12-20-26)29(27)25-17-9-3-10-18-25/h1,3-7,9-22H,2,8H2
InChIKeyOFSLPTAWGCAHHV-UHFFFAOYSA-N
MW384.52 g/mol
LogP8.42
Rot. Bonds4

About 1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene

1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene (PubChem CID 174079697) has the molecular formula C30H24 and a molecular weight of 384.52 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene
PubChem CID174079697
Molecular FormulaC30H24
Molecular Weight384.52 g/mol
Exact Mass384.19
IUPAC Name1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene
SMILESC1=CC(c2ccc(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)=CCC1
InChIInChI=1S/C30H24/c1-5-13-23(14-6-1)27-21-22-28(24-15-7-2-8-16-24)30(26-19-11-4-12-20-26)29(27)25-17-9-3-10-18-25/h1,3-7,9-22H,2,8H2
InChIKeyOFSLPTAWGCAHHV-UHFFFAOYSA-N
XLogP8.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene (CID 174079697) is 1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene is C1=CC(c2ccc(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)=CCC1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene?
The InChIKey is OFSLPTAWGCAHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24/c1-5-13-23(14-6-1)27-21-22-28(24-15-7-2-8-16-24)30(26-19-11-4-12-20-26)29(27)25-17-9-3-10-18-25/h1,3-7,9-22H,2,8H2.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene?
1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene has a molecular weight of 384.52 g/mol, XLogP of 8.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-2,3,4-triphenylbenzene is sourced from PubChem (CID 174079697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).