1-[3-(5-methyl-4-propylcyclohexa-2,4-dien-1-yl)phenyl]-3,5-diphenylbenzene

C34H32 — CID 145129355

IUPAC1-[3-(5-methyl-4-propylcyclohexa-2,4-dien-1-yl)phenyl]-3,5-diphenylbenzene
SMILESCCCC1=C(C)CC(c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)C=C1
InChIInChI=1S/C34H32/c1-3-11-26-18-19-31(20-25(26)2)29-16-10-17-30(21-29)34-23-32(27-12-6-4-7-13-27)22-33(24-34)28-14-8-5-9-15-28/h4-10,12-19,21-24,31H,3,11,20H2,1-2H3
InChIKeyLZADVLPSXKWWDH-UHFFFAOYSA-N
MW440.63 g/mol
LogP9.85
Rot. Bonds6

About 1-[3-(5-methyl-4-propylcyclohexa-2,4-dien-1-yl)phenyl]-3,5-diphenylbenzene

1-[3-(5-methyl-4-propylcyclohexa-2,4-dien-1-yl)phenyl]-3,5-diphenylbenzene (PubChem CID 145129355) has the molecular formula C34H32 and a molecular weight of 440.63 g/mol. Its IUPAC name is 1-[3-(5-methyl-4-propylcyclohexa-2,4-dien-1-yl)phenyl]-3,5-diphenylbenzene.

Molecular Properties

Compound Name1-[3-(5-methyl-4-propylcyclohexa-2,4-dien-1-yl)phenyl]-3,5-diphenylbenzene
PubChem CID145129355
Molecular FormulaC34H32
Molecular Weight440.63 g/mol
Exact Mass440.25
IUPAC Name1-[3-(5-methyl-4-propylcyclohexa-2,4-dien-1-yl)phenyl]-3,5-diphenylbenzene
SMILESCCCC1=C(C)CC(c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)C=C1
InChIInChI=1S/C34H32/c1-3-11-26-18-19-31(20-25(26)2)29-16-10-17-30(21-29)34-23-32(27-12-6-4-7-13-27)22-33(24-34)28-14-8-5-9-15-28/h4-10,12-19,21-24,31H,3,11,20H2,1-2H3
InChIKeyLZADVLPSXKWWDH-UHFFFAOYSA-N
XLogP9.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7,12-Dimethylbenz(a)anthracene
CID 6001
1-Methylpyrene
CID 16932
M-Terphenyl
CID 7076
Fenbutatin oxide
CID 16683004
5-Methylchrysene
CID 19427
8-Methylbenz(a)anthracene
CID 16933
12-Methylbenz(a)anthracene
CID 17026
7-Methylbenz(a)anthracene
CID 17347
Retene
CID 10222
6-Methylchrysene
CID 15564
4-Methylchrysene
CID 18780
3-Methylchrysene
CID 18781

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-methyl-4-propylcyclohexa-2,4-dien-1-yl)phenyl]-3,5-diphenylbenzene?
The IUPAC name of 1-[3-(5-methyl-4-propylcyclohexa-2,4-dien-1-yl)phenyl]-3,5-diphenylbenzene (CID 145129355) is 1-[3-(5-methyl-4-propylcyclohexa-2,4-dien-1-yl)phenyl]-3,5-diphenylbenzene.
What is the SMILES notation for 1-[3-(5-methyl-4-propylcyclohexa-2,4-dien-1-yl)phenyl]-3,5-diphenylbenzene?
The canonical SMILES for 1-[3-(5-methyl-4-propylcyclohexa-2,4-dien-1-yl)phenyl]-3,5-diphenylbenzene is CCCC1=C(C)CC(c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2)C=C1.
What is the InChIKey of 1-[3-(5-methyl-4-propylcyclohexa-2,4-dien-1-yl)phenyl]-3,5-diphenylbenzene?
The InChIKey is LZADVLPSXKWWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32/c1-3-11-26-18-19-31(20-25(26)2)29-16-10-17-30(21-29)34-23-32(27-12-6-4-7-13-27)22-33(24-34)28-14-8-5-9-15-28/h4-10,12-19,21-24,31H,3,11,20H2,1-2H3.
What are the key properties of 1-[3-(5-methyl-4-propylcyclohexa-2,4-dien-1-yl)phenyl]-3,5-diphenylbenzene?
1-[3-(5-methyl-4-propylcyclohexa-2,4-dien-1-yl)phenyl]-3,5-diphenylbenzene has a molecular weight of 440.63 g/mol, XLogP of 9.85, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-methyl-4-propylcyclohexa-2,4-dien-1-yl)phenyl]-3,5-diphenylbenzene is sourced from PubChem (CID 145129355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).