9-[3-[10-(3-carbazol-9-ylphenyl)-2-[10-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole

C87H54N4 — CID 58963335

About 9-[3-[10-(3-carbazol-9-ylphenyl)-2-[10-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole

9-[3-[10-(3-carbazol-9-ylphenyl)-2-[10-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole (PubChem CID 58963335) has the molecular formula C87H54N4 and a molecular weight of 1155.42 g/mol. Its IUPAC name is 9-[3-[10-(3-carbazol-9-ylphenyl)-2-[10-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-[10-(3-carbazol-9-ylphenyl)-2-[10-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
• PubChem CID: 58963335
• Molecular Formula: C87H54N4
• Molecular Weight: 1155.42 g/mol
• Exact Mass: 1154.43
• IUPAC Name: 9-[3-[10-(3-carbazol-9-ylphenyl)-2-[10-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole
• SMILES: c1ccc(-n2c(-c3ccc4cc(-c5c6ccccc6c(-c6ccc7c(-c8cccc(-n9c%10ccccc%10c%10ccccc%109)c8)c8ccccc8c(-c8cccc(-n9c%10ccccc%10c%10ccccc%109)c8)c7c6)c6ccccc56)ccc4c3)nc3ccccc32)cc1
• InChI: InChI=1S/C87H54N4/c1-2-24-62(25-3-1)91-82-43-19-14-38-77(82)88-87(91)61-47-45-55-50-59(46-44-56(55)51-61)84-69-32-4-6-34-71(69)85(72-35-7-5-33-70(72)84)60-48-49-75-76(54-60)86(58-23-21-27-64(53-58)90-80-41-17-12-30-67(80)68-31-13-18-42-81(68)90)74-37-9-8-36-73(74)83(75)57-22-20-26-63(52-57)89-78-39-15-10-28-65(78)66-29-11-16-40-79(66)89/h1-54H
• InChIKey: YGYLMBANTYDAHH-UHFFFAOYSA-N
• XLogP: 23.32
• TPSA: 27.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1155.42
LogP ≤ 5	23.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[3-[10-(3-carbazol-9-ylphenyl)-2-[10-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole?

The IUPAC name of 9-[3-[10-(3-carbazol-9-ylphenyl)-2-[10-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole (CID 58963335) is 9-[3-[10-(3-carbazol-9-ylphenyl)-2-[10-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole.

What is the SMILES notation for 9-[3-[10-(3-carbazol-9-ylphenyl)-2-[10-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole?

The canonical SMILES for 9-[3-[10-(3-carbazol-9-ylphenyl)-2-[10-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole is c1ccc(-n2c(-c3ccc4cc(-c5c6ccccc6c(-c6ccc7c(-c8cccc(-n9c%10ccccc%10c%10ccccc%109)c8)c8ccccc8c(-c8cccc(-n9c%10ccccc%10c%10ccccc%109)c8)c7c6)c6ccccc56)ccc4c3)nc3ccccc32)cc1.

What is the InChIKey of 9-[3-[10-(3-carbazol-9-ylphenyl)-2-[10-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole?

The InChIKey is YGYLMBANTYDAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H54N4/c1-2-24-62(25-3-1)91-82-43-19-14-38-77(82)88-87(91)61-47-45-55-50-59(46-44-56(55)51-61)84-69-32-4-6-34-71(69)85(72-35-7-5-33-70(72)84)60-48-49-75-76(54-60)86(58-23-21-27-64(53-58)90-80-41-17-12-30-67(80)68-31-13-18-42-81(68)90)74-37-9-8-36-73(74)83(75)57-22-20-26-63(52-57)89-78-39-15-10-28-65(78)66-29-11-16-40-79(66)89/h1-54H.

What are the key properties of 9-[3-[10-(3-carbazol-9-ylphenyl)-2-[10-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole?

9-[3-[10-(3-carbazol-9-ylphenyl)-2-[10-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole has a molecular weight of 1155.42 g/mol, XLogP of 23.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[10-(3-carbazol-9-ylphenyl)-2-[10-[6-(1-phenylbenzimidazol-2-yl)naphthalen-2-yl]anthracen-9-yl]anthracen-9-yl]phenyl]carbazole is sourced from PubChem (CID 58963335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).