(3-pentylidene-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene

C34H30 — CID 101159189

IUPAC(3-pentylidene-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene
SMILESCCCCC=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C34H30/c1-2-3-8-25-30-31(26-17-9-4-10-18-26)33(28-21-13-6-14-22-28)34(29-23-15-7-16-24-29)32(30)27-19-11-5-12-20-27/h4-7,9-25H,2-3,8H2,1H3
InChIKeyKXENYYVOMOOSJL-UHFFFAOYSA-N
MW438.61 g/mol
LogP9.34
Rot. Bonds7

About (3-pentylidene-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene

(3-pentylidene-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene (PubChem CID 101159189) has the molecular formula C34H30 and a molecular weight of 438.61 g/mol. Its IUPAC name is (3-pentylidene-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene.

Molecular Properties

Compound Name(3-pentylidene-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene
PubChem CID101159189
Molecular FormulaC34H30
Molecular Weight438.61 g/mol
Exact Mass438.23
IUPAC Name(3-pentylidene-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene
SMILESCCCCC=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C34H30/c1-2-3-8-25-30-31(26-17-9-4-10-18-26)33(28-21-13-6-14-22-28)34(29-23-15-7-16-24-29)32(30)27-19-11-5-12-20-27/h4-7,9-25H,2-3,8H2,1H3
InChIKeyKXENYYVOMOOSJL-UHFFFAOYSA-N
XLogP9.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.61
LogP ≤ 59.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

M-Terphenyl
CID 7076
Fenbutatin oxide
CID 16683004
p-Terphenyl
CID 7115
O-Terphenyl
CID 6766
Triphenylethylene
CID 6025
Benzyltriphenylphosphonium chloride
CID 70671
Phosphine, tris(4-methylphenyl)-
CID 13956
Tris(4-methylphenyl)stibine
CID 79371
Isopropylbiphenyl
CID 20259910
Benzene, 1,1',1'',1'''-(1,3-butadiene-1,4-diylidene)tetrakis-
CID 74060
Stibene, tri-o-tolyl-
CID 301718
Triphenylmethane
CID 10614

Frequently Asked Questions

What is the IUPAC name of (3-pentylidene-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene?
The IUPAC name of (3-pentylidene-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene (CID 101159189) is (3-pentylidene-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene.
What is the SMILES notation for (3-pentylidene-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene?
The canonical SMILES for (3-pentylidene-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene is CCCCC=C1C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of (3-pentylidene-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene?
The InChIKey is KXENYYVOMOOSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30/c1-2-3-8-25-30-31(26-17-9-4-10-18-26)33(28-21-13-6-14-22-28)34(29-23-15-7-16-24-29)32(30)27-19-11-5-12-20-27/h4-7,9-25H,2-3,8H2,1H3.
What are the key properties of (3-pentylidene-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene?
(3-pentylidene-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene has a molecular weight of 438.61 g/mol, XLogP of 9.34, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pentylidene-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)benzene is sourced from PubChem (CID 101159189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).