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

C61H40N2 — CID 137466378

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

4-[9-[4-[3-(1H-inden-2-yl)-5-phenylphenyl]phenyl]carbazol-4-yl]-9-naphthalen-2-ylcarbazole (PubChem CID 137466378) has the molecular formula C61H40N2 and a molecular weight of 801.01 g/mol. Its IUPAC name is 4-[9-[4-[3-(1H-inden-2-yl)-5-phenylphenyl]phenyl]carbazol-4-yl]-9-naphthalen-2-ylcarbazole.

Molecular Properties

• Compound Name: 4-[9-[4-[3-(1H-inden-2-yl)-5-phenylphenyl]phenyl]carbazol-4-yl]-9-naphthalen-2-ylcarbazole
• PubChem CID: 137466378
• Molecular Formula: C61H40N2
• Molecular Weight: 801.01 g/mol
• Exact Mass: 800.32
• IUPAC Name: 4-[9-[4-[3-(1H-inden-2-yl)-5-phenylphenyl]phenyl]carbazol-4-yl]-9-naphthalen-2-ylcarbazole
• SMILES: C1=C(c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccc7ccccc7c6)cccc54)cc3)c2)Cc2ccccc21
• InChI: InChI=1S/C61H40N2/c1-2-14-40(15-3-1)46-36-47(38-49(37-46)48-34-43-17-6-7-18-44(43)35-48)42-28-31-50(32-29-42)62-56-24-10-8-20-54(56)60-52(22-12-26-58(60)62)53-23-13-27-59-61(53)55-21-9-11-25-57(55)63(59)51-33-30-41-16-4-5-19-45(41)39-51/h1-34,36-39H,35H2
• InChIKey: CYVQRZNJPMMUAD-UHFFFAOYSA-N
• XLogP: 16.13
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	801.01
LogP ≤ 5	16.13
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-[4-[3-(1H-inden-2-yl)-5-phenylphenyl]phenyl]carbazol-4-yl]-9-naphthalen-2-ylcarbazole?

The IUPAC name of 4-[9-[4-[3-(1H-inden-2-yl)-5-phenylphenyl]phenyl]carbazol-4-yl]-9-naphthalen-2-ylcarbazole (CID 137466378) is 4-[9-[4-[3-(1H-inden-2-yl)-5-phenylphenyl]phenyl]carbazol-4-yl]-9-naphthalen-2-ylcarbazole.

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

The canonical SMILES for 4-[9-[4-[3-(1H-inden-2-yl)-5-phenylphenyl]phenyl]carbazol-4-yl]-9-naphthalen-2-ylcarbazole is C1=C(c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccc7ccccc7c6)cccc54)cc3)c2)Cc2ccccc21.

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

The InChIKey is CYVQRZNJPMMUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2/c1-2-14-40(15-3-1)46-36-47(38-49(37-46)48-34-43-17-6-7-18-44(43)35-48)42-28-31-50(32-29-42)62-56-24-10-8-20-54(56)60-52(22-12-26-58(60)62)53-23-13-27-59-61(53)55-21-9-11-25-57(55)63(59)51-33-30-41-16-4-5-19-45(41)39-51/h1-34,36-39H,35H2.

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

4-[9-[4-[3-(1H-inden-2-yl)-5-phenylphenyl]phenyl]carbazol-4-yl]-9-naphthalen-2-ylcarbazole has a molecular weight of 801.01 g/mol, XLogP of 16.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[9-[4-[3-(1H-inden-2-yl)-5-phenylphenyl]phenyl]carbazol-4-yl]-9-naphthalen-2-ylcarbazole is sourced from PubChem (CID 137466378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).