9-[(3Z)-4-(3-methyl-1-triphenylen-2-ylindol-2-yl)buta-1,3-dien-2-yl]carbazole

C43H30N2 — CID 174253158

About 9-[(3Z)-4-(3-methyl-1-triphenylen-2-ylindol-2-yl)buta-1,3-dien-2-yl]carbazole

9-[(3Z)-4-(3-methyl-1-triphenylen-2-ylindol-2-yl)buta-1,3-dien-2-yl]carbazole (PubChem CID 174253158) has the molecular formula C43H30N2 and a molecular weight of 574.73 g/mol. Its IUPAC name is 9-[(3Z)-4-(3-methyl-1-triphenylen-2-ylindol-2-yl)buta-1,3-dien-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[(3Z)-4-(3-methyl-1-triphenylen-2-ylindol-2-yl)buta-1,3-dien-2-yl]carbazole
• PubChem CID: 174253158
• Molecular Formula: C43H30N2
• Molecular Weight: 574.73 g/mol
• Exact Mass: 574.24
• IUPAC Name: 9-[(3Z)-4-(3-methyl-1-triphenylen-2-ylindol-2-yl)buta-1,3-dien-2-yl]carbazole
• SMILES: C=C(/C=C\c1c(C)c2ccccc2n1-c1ccc2c3ccccc3c3ccccc3c2c1)n1c2ccccc2c2ccccc21
• InChI: InChI=1S/C43H30N2/c1-28(44-42-21-11-8-18-37(42)38-19-9-12-22-43(38)44)23-26-40-29(2)31-13-7-10-20-41(31)45(40)30-24-25-36-34-16-4-3-14-32(34)33-15-5-6-17-35(33)39(36)27-30/h3-27H,1H2,2H3/b26-23-
• InChIKey: NVGKBINTOIMXGK-RWEWTDSWSA-N
• XLogP: 11.69
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.73
LogP ≤ 5	11.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[(3Z)-4-(3-methyl-1-triphenylen-2-ylindol-2-yl)buta-1,3-dien-2-yl]carbazole?

The IUPAC name of 9-[(3Z)-4-(3-methyl-1-triphenylen-2-ylindol-2-yl)buta-1,3-dien-2-yl]carbazole (CID 174253158) is 9-[(3Z)-4-(3-methyl-1-triphenylen-2-ylindol-2-yl)buta-1,3-dien-2-yl]carbazole.

What is the SMILES notation for 9-[(3Z)-4-(3-methyl-1-triphenylen-2-ylindol-2-yl)buta-1,3-dien-2-yl]carbazole?

The canonical SMILES for 9-[(3Z)-4-(3-methyl-1-triphenylen-2-ylindol-2-yl)buta-1,3-dien-2-yl]carbazole is C=C(/C=C\c1c(C)c2ccccc2n1-c1ccc2c3ccccc3c3ccccc3c2c1)n1c2ccccc2c2ccccc21.

What is the InChIKey of 9-[(3Z)-4-(3-methyl-1-triphenylen-2-ylindol-2-yl)buta-1,3-dien-2-yl]carbazole?

The InChIKey is NVGKBINTOIMXGK-RWEWTDSWSA-N. The full InChI is InChI=1S/C43H30N2/c1-28(44-42-21-11-8-18-37(42)38-19-9-12-22-43(38)44)23-26-40-29(2)31-13-7-10-20-41(31)45(40)30-24-25-36-34-16-4-3-14-32(34)33-15-5-6-17-35(33)39(36)27-30/h3-27H,1H2,2H3/b26-23-.

What are the key properties of 9-[(3Z)-4-(3-methyl-1-triphenylen-2-ylindol-2-yl)buta-1,3-dien-2-yl]carbazole?

9-[(3Z)-4-(3-methyl-1-triphenylen-2-ylindol-2-yl)buta-1,3-dien-2-yl]carbazole has a molecular weight of 574.73 g/mol, XLogP of 11.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(3Z)-4-(3-methyl-1-triphenylen-2-ylindol-2-yl)buta-1,3-dien-2-yl]carbazole is sourced from PubChem (CID 174253158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).