2-carbazol-9-yl-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

C40H32N2 — CID 166882509

About 2-carbazol-9-yl-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7,7-dimethylindeno[2,1-b]carbazole

2-carbazol-9-yl-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (PubChem CID 166882509) has the molecular formula C40H32N2 and a molecular weight of 540.71 g/mol. Its IUPAC name is 2-carbazol-9-yl-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
• PubChem CID: 166882509
• Molecular Formula: C40H32N2
• Molecular Weight: 540.71 g/mol
• Exact Mass: 540.26
• IUPAC Name: 2-carbazol-9-yl-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
• SMILES: C=C(/C=C\C=C/C)n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc3c(cc21)C(C)(C)c1ccccc1-3
• InChI: InChI=1S/C40H32N2/c1-5-6-7-14-26(2)41-38-22-21-27(42-36-19-12-9-16-29(36)30-17-10-13-20-37(30)42)23-32(38)33-24-31-28-15-8-11-18-34(28)40(3,4)35(31)25-39(33)41/h5-25H,2H2,1,3-4H3/b6-5-,14-7-
• InChIKey: QEZWDWVMBKBUJU-GXMXSVIJSA-N
• XLogP: 10.80
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.71
LogP ≤ 5	10.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?

The IUPAC name of 2-carbazol-9-yl-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7,7-dimethylindeno[2,1-b]carbazole (CID 166882509) is 2-carbazol-9-yl-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7,7-dimethylindeno[2,1-b]carbazole.

What is the SMILES notation for 2-carbazol-9-yl-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?

The canonical SMILES for 2-carbazol-9-yl-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is C=C(/C=C\C=C/C)n1c2ccc(-n3c4ccccc4c4ccccc43)cc2c2cc3c(cc21)C(C)(C)c1ccccc1-3.

What is the InChIKey of 2-carbazol-9-yl-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?

The InChIKey is QEZWDWVMBKBUJU-GXMXSVIJSA-N. The full InChI is InChI=1S/C40H32N2/c1-5-6-7-14-26(2)41-38-22-21-27(42-36-19-12-9-16-29(36)30-17-10-13-20-37(30)42)23-32(38)33-24-31-28-15-8-11-18-34(28)40(3,4)35(31)25-39(33)41/h5-25H,2H2,1,3-4H3/b6-5-,14-7-.

What are the key properties of 2-carbazol-9-yl-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7,7-dimethylindeno[2,1-b]carbazole?

2-carbazol-9-yl-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7,7-dimethylindeno[2,1-b]carbazole has a molecular weight of 540.71 g/mol, XLogP of 10.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-5-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-7,7-dimethylindeno[2,1-b]carbazole is sourced from PubChem (CID 166882509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).