4-[9-[3-(1H-inden-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-naphthalen-2-ylcarbazole

C55H36N2 — CID 138474926

About 4-[9-[3-(1H-inden-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-naphthalen-2-ylcarbazole

4-[9-[3-(1H-inden-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-naphthalen-2-ylcarbazole (PubChem CID 138474926) has the molecular formula C55H36N2 and a molecular weight of 724.91 g/mol. Its IUPAC name is 4-[9-[3-(1H-inden-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-naphthalen-2-ylcarbazole.

Molecular Properties

• Compound Name: 4-[9-[3-(1H-inden-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-naphthalen-2-ylcarbazole
• PubChem CID: 138474926
• Molecular Formula: C55H36N2
• Molecular Weight: 724.91 g/mol
• Exact Mass: 724.29
• IUPAC Name: 4-[9-[3-(1H-inden-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-naphthalen-2-ylcarbazole
• SMILES: C1=C(c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccc6ccccc6c5)cccc43)c2)Cc2ccccc21
• InChI: InChI=1S/C55H36N2/c1-2-14-36(15-3-1)42-32-43(41-30-38-17-6-7-18-39(38)31-41)35-45(34-42)57-51-25-11-9-21-49(51)55-47(23-13-27-53(55)57)46-22-12-26-52-54(46)48-20-8-10-24-50(48)56(52)44-29-28-37-16-4-5-19-40(37)33-44/h1-30,32-35H,31H2
• InChIKey: UHLKVBNNPVWZCG-UHFFFAOYSA-N
• XLogP: 14.46
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.91
LogP ≤ 5	14.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[9-[3-(1H-inden-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-naphthalen-2-ylcarbazole?

The IUPAC name of 4-[9-[3-(1H-inden-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-naphthalen-2-ylcarbazole (CID 138474926) is 4-[9-[3-(1H-inden-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-naphthalen-2-ylcarbazole.

What is the SMILES notation for 4-[9-[3-(1H-inden-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-naphthalen-2-ylcarbazole?

The canonical SMILES for 4-[9-[3-(1H-inden-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-naphthalen-2-ylcarbazole is C1=C(c2cc(-c3ccccc3)cc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccc6ccccc6c5)cccc43)c2)Cc2ccccc21.

What is the InChIKey of 4-[9-[3-(1H-inden-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-naphthalen-2-ylcarbazole?

The InChIKey is UHLKVBNNPVWZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2/c1-2-14-36(15-3-1)42-32-43(41-30-38-17-6-7-18-39(38)31-41)35-45(34-42)57-51-25-11-9-21-49(51)55-47(23-13-27-53(55)57)46-22-12-26-52-54(46)48-20-8-10-24-50(48)56(52)44-29-28-37-16-4-5-19-40(37)33-44/h1-30,32-35H,31H2.

What are the key properties of 4-[9-[3-(1H-inden-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-naphthalen-2-ylcarbazole?

4-[9-[3-(1H-inden-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-naphthalen-2-ylcarbazole has a molecular weight of 724.91 g/mol, XLogP of 14.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-[3-(1H-inden-2-yl)-5-phenylphenyl]carbazol-4-yl]-9-naphthalen-2-ylcarbazole is sourced from PubChem (CID 138474926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).