3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[(2Z,4Z)-hexa-2,4-dienyl]carbazole

C48H36N2 — CID 144884578

About 3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[(2Z,4Z)-hexa-2,4-dienyl]carbazole

3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[(2Z,4Z)-hexa-2,4-dienyl]carbazole (PubChem CID 144884578) has the molecular formula C48H36N2 and a molecular weight of 640.83 g/mol. Its IUPAC name is 3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[(2Z,4Z)-hexa-2,4-dienyl]carbazole.

Molecular Properties

• Compound Name: 3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[(2Z,4Z)-hexa-2,4-dienyl]carbazole
• PubChem CID: 144884578
• Molecular Formula: C48H36N2
• Molecular Weight: 640.83 g/mol
• Exact Mass: 640.29
• IUPAC Name: 3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[(2Z,4Z)-hexa-2,4-dienyl]carbazole
• SMILES: C/C=C\C=C/Cn1c2ccccc2c2cc(-c3ccc4c5ccccc5n(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4c3)ccc21
• InChI: InChI=1S/C48H36N2/c1-2-3-4-15-28-49-45-22-13-11-21-42(45)44-32-36(25-27-46(44)49)37-24-26-43-41-20-12-14-23-47(41)50(48(43)33-37)40-30-38(34-16-7-5-8-17-34)29-39(31-40)35-18-9-6-10-19-35/h2-27,29-33H,28H2,1H3/b3-2-,15-4-
• InChIKey: FSDGBJQALATHCQ-MJTOKJLYSA-N
• XLogP: 13.02
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.83
LogP ≤ 5	13.02
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 3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[(2Z,4Z)-hexa-2,4-dienyl]carbazole?

The IUPAC name of 3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[(2Z,4Z)-hexa-2,4-dienyl]carbazole (CID 144884578) is 3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[(2Z,4Z)-hexa-2,4-dienyl]carbazole.

What is the SMILES notation for 3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[(2Z,4Z)-hexa-2,4-dienyl]carbazole?

The canonical SMILES for 3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[(2Z,4Z)-hexa-2,4-dienyl]carbazole is C/C=C\C=C/Cn1c2ccccc2c2cc(-c3ccc4c5ccccc5n(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c4c3)ccc21.

What is the InChIKey of 3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[(2Z,4Z)-hexa-2,4-dienyl]carbazole?

The InChIKey is FSDGBJQALATHCQ-MJTOKJLYSA-N. The full InChI is InChI=1S/C48H36N2/c1-2-3-4-15-28-49-45-22-13-11-21-42(45)44-32-36(25-27-46(44)49)37-24-26-43-41-20-12-14-23-47(41)50(48(43)33-37)40-30-38(34-16-7-5-8-17-34)29-39(31-40)35-18-9-6-10-19-35/h2-27,29-33H,28H2,1H3/b3-2-,15-4-.

What are the key properties of 3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[(2Z,4Z)-hexa-2,4-dienyl]carbazole?

3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[(2Z,4Z)-hexa-2,4-dienyl]carbazole has a molecular weight of 640.83 g/mol, XLogP of 13.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[(2Z,4Z)-hexa-2,4-dienyl]carbazole is sourced from PubChem (CID 144884578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).