(1-penta-1,3-dienyl-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene

C40H32 — CID 174760912

IUPAC(1-penta-1,3-dienyl-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene
SMILESCC=CC=CC1(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C40H32/c1-2-3-19-30-40(35-28-17-8-18-29-35)38(33-24-13-6-14-25-33)36(31-20-9-4-10-21-31)37(32-22-11-5-12-23-32)39(40)34-26-15-7-16-27-34/h2-30H,1H3
InChIKeyODLNZULQCGRJOZ-UHFFFAOYSA-N
MW512.70 g/mol
LogP10.29
Rot. Bonds7

About (1-penta-1,3-dienyl-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene

(1-penta-1,3-dienyl-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene (PubChem CID 174760912) has the molecular formula C40H32 and a molecular weight of 512.70 g/mol. Its IUPAC name is (1-penta-1,3-dienyl-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene.

Molecular Properties

Compound Name(1-penta-1,3-dienyl-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene
PubChem CID174760912
Molecular FormulaC40H32
Molecular Weight512.70 g/mol
Exact Mass512.25
IUPAC Name(1-penta-1,3-dienyl-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene
SMILESCC=CC=CC1(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1
InChIInChI=1S/C40H32/c1-2-3-19-30-40(35-28-17-8-18-29-35)38(33-24-13-6-14-25-33)36(31-20-9-4-10-21-31)37(32-22-11-5-12-23-32)39(40)34-26-15-7-16-27-34/h2-30H,1H3
InChIKeyODLNZULQCGRJOZ-UHFFFAOYSA-N
XLogP10.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.70
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-penta-1,3-dienyl-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene?
The IUPAC name of (1-penta-1,3-dienyl-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene (CID 174760912) is (1-penta-1,3-dienyl-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene.
What is the SMILES notation for (1-penta-1,3-dienyl-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene?
The canonical SMILES for (1-penta-1,3-dienyl-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene is CC=CC=CC1(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1.
What is the InChIKey of (1-penta-1,3-dienyl-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene?
The InChIKey is ODLNZULQCGRJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32/c1-2-3-19-30-40(35-28-17-8-18-29-35)38(33-24-13-6-14-25-33)36(31-20-9-4-10-21-31)37(32-22-11-5-12-23-32)39(40)34-26-15-7-16-27-34/h2-30H,1H3.
What are the key properties of (1-penta-1,3-dienyl-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene?
(1-penta-1,3-dienyl-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene has a molecular weight of 512.70 g/mol, XLogP of 10.29, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-penta-1,3-dienyl-2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-yl)benzene is sourced from PubChem (CID 174760912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).