7-phenyl-5-[3-[6-(3-phenylphenyl)pyren-1-yl]phenyl]indolo[2,3-b]carbazole

C58H36N2 — CID 176780561

About 7-phenyl-5-[3-[6-(3-phenylphenyl)pyren-1-yl]phenyl]indolo[2,3-b]carbazole

7-phenyl-5-[3-[6-(3-phenylphenyl)pyren-1-yl]phenyl]indolo[2,3-b]carbazole (PubChem CID 176780561) has the molecular formula C58H36N2 and a molecular weight of 760.94 g/mol. Its IUPAC name is 7-phenyl-5-[3-[6-(3-phenylphenyl)pyren-1-yl]phenyl]indolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 7-phenyl-5-[3-[6-(3-phenylphenyl)pyren-1-yl]phenyl]indolo[2,3-b]carbazole
• PubChem CID: 176780561
• Molecular Formula: C58H36N2
• Molecular Weight: 760.94 g/mol
• Exact Mass: 760.29
• IUPAC Name: 7-phenyl-5-[3-[6-(3-phenylphenyl)pyren-1-yl]phenyl]indolo[2,3-b]carbazole
• SMILES: c1ccc(-c2cccc(-c3ccc4ccc5c(-c6cccc(-n7c8ccccc8c8cc9c%10ccccc%10n(-c%10ccccc%10)c9cc87)c6)ccc6ccc3c4c65)c2)cc1
• InChI: InChI=1S/C58H36N2/c1-3-13-37(14-4-1)40-15-11-16-41(33-40)45-29-25-38-28-32-50-46(30-26-39-27-31-49(45)57(38)58(39)50)42-17-12-20-44(34-42)60-54-24-10-8-22-48(54)52-35-51-47-21-7-9-23-53(47)59(55(51)36-56(52)60)43-18-5-2-6-19-43/h1-36H
• InChIKey: LMOHBIKGVVOOOM-UHFFFAOYSA-N
• XLogP: 15.78
• TPSA: 9.86 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.94
LogP ≤ 5	15.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-5-[3-[6-(3-phenylphenyl)pyren-1-yl]phenyl]indolo[2,3-b]carbazole?

The IUPAC name of 7-phenyl-5-[3-[6-(3-phenylphenyl)pyren-1-yl]phenyl]indolo[2,3-b]carbazole (CID 176780561) is 7-phenyl-5-[3-[6-(3-phenylphenyl)pyren-1-yl]phenyl]indolo[2,3-b]carbazole.

What is the SMILES notation for 7-phenyl-5-[3-[6-(3-phenylphenyl)pyren-1-yl]phenyl]indolo[2,3-b]carbazole?

The canonical SMILES for 7-phenyl-5-[3-[6-(3-phenylphenyl)pyren-1-yl]phenyl]indolo[2,3-b]carbazole is c1ccc(-c2cccc(-c3ccc4ccc5c(-c6cccc(-n7c8ccccc8c8cc9c%10ccccc%10n(-c%10ccccc%10)c9cc87)c6)ccc6ccc3c4c65)c2)cc1.

What is the InChIKey of 7-phenyl-5-[3-[6-(3-phenylphenyl)pyren-1-yl]phenyl]indolo[2,3-b]carbazole?

The InChIKey is LMOHBIKGVVOOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2/c1-3-13-37(14-4-1)40-15-11-16-41(33-40)45-29-25-38-28-32-50-46(30-26-39-27-31-49(45)57(38)58(39)50)42-17-12-20-44(34-42)60-54-24-10-8-22-48(54)52-35-51-47-21-7-9-23-53(47)59(55(51)36-56(52)60)43-18-5-2-6-19-43/h1-36H.

What are the key properties of 7-phenyl-5-[3-[6-(3-phenylphenyl)pyren-1-yl]phenyl]indolo[2,3-b]carbazole?

7-phenyl-5-[3-[6-(3-phenylphenyl)pyren-1-yl]phenyl]indolo[2,3-b]carbazole has a molecular weight of 760.94 g/mol, XLogP of 15.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 7-phenyl-5-[3-[6-(3-phenylphenyl)pyren-1-yl]phenyl]indolo[2,3-b]carbazole is sourced from PubChem (CID 176780561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).