9-(3-carbazol-9-ylphenyl)-3-[3-[(2Z)-penta-2,4-dienyl]phenyl]carbazole

C41H30N2 — CID 144541203

About 9-(3-carbazol-9-ylphenyl)-3-[3-[(2Z)-penta-2,4-dienyl]phenyl]carbazole

9-(3-carbazol-9-ylphenyl)-3-[3-[(2Z)-penta-2,4-dienyl]phenyl]carbazole (PubChem CID 144541203) has the molecular formula C41H30N2 and a molecular weight of 550.71 g/mol. Its IUPAC name is 9-(3-carbazol-9-ylphenyl)-3-[3-[(2Z)-penta-2,4-dienyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-(3-carbazol-9-ylphenyl)-3-[3-[(2Z)-penta-2,4-dienyl]phenyl]carbazole
• PubChem CID: 144541203
• Molecular Formula: C41H30N2
• Molecular Weight: 550.71 g/mol
• Exact Mass: 550.24
• IUPAC Name: 9-(3-carbazol-9-ylphenyl)-3-[3-[(2Z)-penta-2,4-dienyl]phenyl]carbazole
• SMILES: C=C/C=C\Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1
• InChI: InChI=1S/C41H30N2/c1-2-3-4-13-29-14-11-15-30(26-29)31-24-25-41-37(27-31)36-20-7-10-23-40(36)43(41)33-17-12-16-32(28-33)42-38-21-8-5-18-34(38)35-19-6-9-22-39(35)42/h2-12,14-28H,1,13H2/b4-3-
• InChIKey: NSLUUXAOIPGQRR-ARJAWSKDSA-N
• XLogP: 10.83
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.71
LogP ≤ 5	10.83
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 9-(3-carbazol-9-ylphenyl)-3-[3-[(2Z)-penta-2,4-dienyl]phenyl]carbazole?

The IUPAC name of 9-(3-carbazol-9-ylphenyl)-3-[3-[(2Z)-penta-2,4-dienyl]phenyl]carbazole (CID 144541203) is 9-(3-carbazol-9-ylphenyl)-3-[3-[(2Z)-penta-2,4-dienyl]phenyl]carbazole.

What is the SMILES notation for 9-(3-carbazol-9-ylphenyl)-3-[3-[(2Z)-penta-2,4-dienyl]phenyl]carbazole?

The canonical SMILES for 9-(3-carbazol-9-ylphenyl)-3-[3-[(2Z)-penta-2,4-dienyl]phenyl]carbazole is C=C/C=C\Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc(-n3c4ccccc4c4ccccc43)c2)c1.

What is the InChIKey of 9-(3-carbazol-9-ylphenyl)-3-[3-[(2Z)-penta-2,4-dienyl]phenyl]carbazole?

The InChIKey is NSLUUXAOIPGQRR-ARJAWSKDSA-N. The full InChI is InChI=1S/C41H30N2/c1-2-3-4-13-29-14-11-15-30(26-29)31-24-25-41-37(27-31)36-20-7-10-23-40(36)43(41)33-17-12-16-32(28-33)42-38-21-8-5-18-34(38)35-19-6-9-22-39(35)42/h2-12,14-28H,1,13H2/b4-3-.

What are the key properties of 9-(3-carbazol-9-ylphenyl)-3-[3-[(2Z)-penta-2,4-dienyl]phenyl]carbazole?

9-(3-carbazol-9-ylphenyl)-3-[3-[(2Z)-penta-2,4-dienyl]phenyl]carbazole has a molecular weight of 550.71 g/mol, XLogP of 10.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3-carbazol-9-ylphenyl)-3-[3-[(2Z)-penta-2,4-dienyl]phenyl]carbazole is sourced from PubChem (CID 144541203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).