2-(3,5-diphenylphenyl)-5-[11-(3,5-diphenylphenyl)triphenylen-2-yl]-7,7-diphenylindeno[2,1-b]carbazole

C85H55N — CID 90441201

About 2-(3,5-diphenylphenyl)-5-[11-(3,5-diphenylphenyl)triphenylen-2-yl]-7,7-diphenylindeno[2,1-b]carbazole

2-(3,5-diphenylphenyl)-5-[11-(3,5-diphenylphenyl)triphenylen-2-yl]-7,7-diphenylindeno[2,1-b]carbazole (PubChem CID 90441201) has the molecular formula C85H55N and a molecular weight of 1090.38 g/mol. Its IUPAC name is 2-(3,5-diphenylphenyl)-5-[11-(3,5-diphenylphenyl)triphenylen-2-yl]-7,7-diphenylindeno[2,1-b]carbazole.

Molecular Properties

• Compound Name: 2-(3,5-diphenylphenyl)-5-[11-(3,5-diphenylphenyl)triphenylen-2-yl]-7,7-diphenylindeno[2,1-b]carbazole
• PubChem CID: 90441201
• Molecular Formula: C85H55N
• Molecular Weight: 1090.38 g/mol
• Exact Mass: 1089.43
• IUPAC Name: 2-(3,5-diphenylphenyl)-5-[11-(3,5-diphenylphenyl)triphenylen-2-yl]-7,7-diphenylindeno[2,1-b]carbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c5ccccc5c5ccc(-n6c7ccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)cc7c7cc8c(cc76)C(c6ccccc6)(c6ccccc6)c6ccccc6-8)cc5c4c3)c2)cc1
• InChI: InChI=1S/C85H55N/c1-7-23-56(24-8-1)62-45-63(57-25-9-2-10-26-57)48-66(47-62)60-39-42-73-71-35-19-20-36-72(71)74-43-41-70(53-77(74)76(73)51-60)86-83-44-40-61(67-49-64(58-27-11-3-12-28-58)46-65(50-67)59-29-13-4-14-30-59)52-79(83)80-54-78-75-37-21-22-38-81(75)85(82(78)55-84(80)86,68-31-15-5-16-32-68)69-33-17-6-18-34-69/h1-55H
• InChIKey: XZCNNZOZRDNSLY-UHFFFAOYSA-N
• XLogP: 22.61
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1090.38
LogP ≤ 5	22.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-diphenylphenyl)-5-[11-(3,5-diphenylphenyl)triphenylen-2-yl]-7,7-diphenylindeno[2,1-b]carbazole?

The IUPAC name of 2-(3,5-diphenylphenyl)-5-[11-(3,5-diphenylphenyl)triphenylen-2-yl]-7,7-diphenylindeno[2,1-b]carbazole (CID 90441201) is 2-(3,5-diphenylphenyl)-5-[11-(3,5-diphenylphenyl)triphenylen-2-yl]-7,7-diphenylindeno[2,1-b]carbazole.

What is the SMILES notation for 2-(3,5-diphenylphenyl)-5-[11-(3,5-diphenylphenyl)triphenylen-2-yl]-7,7-diphenylindeno[2,1-b]carbazole?

The canonical SMILES for 2-(3,5-diphenylphenyl)-5-[11-(3,5-diphenylphenyl)triphenylen-2-yl]-7,7-diphenylindeno[2,1-b]carbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c5ccccc5c5ccc(-n6c7ccc(-c8cc(-c9ccccc9)cc(-c9ccccc9)c8)cc7c7cc8c(cc76)C(c6ccccc6)(c6ccccc6)c6ccccc6-8)cc5c4c3)c2)cc1.

What is the InChIKey of 2-(3,5-diphenylphenyl)-5-[11-(3,5-diphenylphenyl)triphenylen-2-yl]-7,7-diphenylindeno[2,1-b]carbazole?

The InChIKey is XZCNNZOZRDNSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H55N/c1-7-23-56(24-8-1)62-45-63(57-25-9-2-10-26-57)48-66(47-62)60-39-42-73-71-35-19-20-36-72(71)74-43-41-70(53-77(74)76(73)51-60)86-83-44-40-61(67-49-64(58-27-11-3-12-28-58)46-65(50-67)59-29-13-4-14-30-59)52-79(83)80-54-78-75-37-21-22-38-81(75)85(82(78)55-84(80)86,68-31-15-5-16-32-68)69-33-17-6-18-34-69/h1-55H.

What are the key properties of 2-(3,5-diphenylphenyl)-5-[11-(3,5-diphenylphenyl)triphenylen-2-yl]-7,7-diphenylindeno[2,1-b]carbazole?

2-(3,5-diphenylphenyl)-5-[11-(3,5-diphenylphenyl)triphenylen-2-yl]-7,7-diphenylindeno[2,1-b]carbazole has a molecular weight of 1090.38 g/mol, XLogP of 22.61, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-diphenylphenyl)-5-[11-(3,5-diphenylphenyl)triphenylen-2-yl]-7,7-diphenylindeno[2,1-b]carbazole is sourced from PubChem (CID 90441201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).