(2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-[4-(3-triphenylen-2-ylphenyl)phenyl]indole

C43H31N — CID 134364508

About (2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-[4-(3-triphenylen-2-ylphenyl)phenyl]indole

(2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-[4-(3-triphenylen-2-ylphenyl)phenyl]indole (PubChem CID 134364508) has the molecular formula C43H31N and a molecular weight of 561.73 g/mol. Its IUPAC name is (2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-[4-(3-triphenylen-2-ylphenyl)phenyl]indole.

Molecular Properties

• Compound Name: (2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-[4-(3-triphenylen-2-ylphenyl)phenyl]indole
• PubChem CID: 134364508
• Molecular Formula: C43H31N
• Molecular Weight: 561.73 g/mol
• Exact Mass: 561.25
• IUPAC Name: (2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-[4-(3-triphenylen-2-ylphenyl)phenyl]indole
• SMILES: C=C/C=c1\c(=C/C)n(-c2ccc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc2)c2ccccc12
• InChI: InChI=1S/C43H31N/c1-3-12-39-40-19-9-10-20-43(40)44(42(39)4-2)33-24-21-29(22-25-33)30-13-11-14-31(27-30)32-23-26-38-36-17-6-5-15-34(36)35-16-7-8-18-37(35)41(38)28-32/h3-28H,1H2,2H3/b39-12-,42-4+
• InChIKey: GCGFKQWRNYLOLH-LNXCTBFISA-N
• XLogP: 10.19
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.73
LogP ≤ 5	10.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-[4-(3-triphenylen-2-ylphenyl)phenyl]indole?

The IUPAC name of (2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-[4-(3-triphenylen-2-ylphenyl)phenyl]indole (CID 134364508) is (2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-[4-(3-triphenylen-2-ylphenyl)phenyl]indole.

What is the SMILES notation for (2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-[4-(3-triphenylen-2-ylphenyl)phenyl]indole?

The canonical SMILES for (2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-[4-(3-triphenylen-2-ylphenyl)phenyl]indole is C=C/C=c1\c(=C/C)n(-c2ccc(-c3cccc(-c4ccc5c6ccccc6c6ccccc6c5c4)c3)cc2)c2ccccc12.

What is the InChIKey of (2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-[4-(3-triphenylen-2-ylphenyl)phenyl]indole?

The InChIKey is GCGFKQWRNYLOLH-LNXCTBFISA-N. The full InChI is InChI=1S/C43H31N/c1-3-12-39-40-19-9-10-20-43(40)44(42(39)4-2)33-24-21-29(22-25-33)30-13-11-14-31(27-30)32-23-26-38-36-17-6-5-15-34(36)35-16-7-8-18-37(35)41(38)28-32/h3-28H,1H2,2H3/b39-12-,42-4+.

What are the key properties of (2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-[4-(3-triphenylen-2-ylphenyl)phenyl]indole?

(2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-[4-(3-triphenylen-2-ylphenyl)phenyl]indole has a molecular weight of 561.73 g/mol, XLogP of 10.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,3Z)-2-ethylidene-3-prop-2-enylidene-1-[4-(3-triphenylen-2-ylphenyl)phenyl]indole is sourced from PubChem (CID 134364508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).