5-[3-[6-pyridin-2-yl-4-[10-(4-pyrido[4,3-b]indol-5-ylphenyl)anthracen-9-yl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole

C58H36N6 — CID 89119653

About 5-[3-[6-pyridin-2-yl-4-[10-(4-pyrido[4,3-b]indol-5-ylphenyl)anthracen-9-yl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole

5-[3-[6-pyridin-2-yl-4-[10-(4-pyrido[4,3-b]indol-5-ylphenyl)anthracen-9-yl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole (PubChem CID 89119653) has the molecular formula C58H36N6 and a molecular weight of 816.97 g/mol. Its IUPAC name is 5-[3-[6-pyridin-2-yl-4-[10-(4-pyrido[4,3-b]indol-5-ylphenyl)anthracen-9-yl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-[3-[6-pyridin-2-yl-4-[10-(4-pyrido[4,3-b]indol-5-ylphenyl)anthracen-9-yl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole
• PubChem CID: 89119653
• Molecular Formula: C58H36N6
• Molecular Weight: 816.97 g/mol
• Exact Mass: 816.30
• IUPAC Name: 5-[3-[6-pyridin-2-yl-4-[10-(4-pyrido[4,3-b]indol-5-ylphenyl)anthracen-9-yl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole
• SMILES: c1ccc(-c2cc(-c3c4ccccc4c(-c4ccc(-n5c6ccccc6c6cnccc65)cc4)c4ccccc34)cc(-c3cccc(-n4c5ccccc5c5cnccc54)c3)n2)nc1
• InChI: InChI=1S/C58H36N6/c1-3-18-46-44(16-1)57(37-23-25-40(26-24-37)63-53-21-7-5-14-42(53)48-35-59-30-27-55(48)63)45-17-2-4-19-47(45)58(46)39-33-51(62-52(34-39)50-20-9-10-29-61-50)38-12-11-13-41(32-38)64-54-22-8-6-15-43(54)49-36-60-31-28-56(49)64/h1-36H
• InChIKey: YSXIYXDKRJPSTF-UHFFFAOYSA-N
• XLogP: 14.44
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	816.97
LogP ≤ 5	14.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-pyridin-2-yl-4-[10-(4-pyrido[4,3-b]indol-5-ylphenyl)anthracen-9-yl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole?

The IUPAC name of 5-[3-[6-pyridin-2-yl-4-[10-(4-pyrido[4,3-b]indol-5-ylphenyl)anthracen-9-yl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole (CID 89119653) is 5-[3-[6-pyridin-2-yl-4-[10-(4-pyrido[4,3-b]indol-5-ylphenyl)anthracen-9-yl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole.

What is the SMILES notation for 5-[3-[6-pyridin-2-yl-4-[10-(4-pyrido[4,3-b]indol-5-ylphenyl)anthracen-9-yl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole?

The canonical SMILES for 5-[3-[6-pyridin-2-yl-4-[10-(4-pyrido[4,3-b]indol-5-ylphenyl)anthracen-9-yl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole is c1ccc(-c2cc(-c3c4ccccc4c(-c4ccc(-n5c6ccccc6c6cnccc65)cc4)c4ccccc34)cc(-c3cccc(-n4c5ccccc5c5cnccc54)c3)n2)nc1.

What is the InChIKey of 5-[3-[6-pyridin-2-yl-4-[10-(4-pyrido[4,3-b]indol-5-ylphenyl)anthracen-9-yl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole?

The InChIKey is YSXIYXDKRJPSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N6/c1-3-18-46-44(16-1)57(37-23-25-40(26-24-37)63-53-21-7-5-14-42(53)48-35-59-30-27-55(48)63)45-17-2-4-19-47(45)58(46)39-33-51(62-52(34-39)50-20-9-10-29-61-50)38-12-11-13-41(32-38)64-54-22-8-6-15-43(54)49-36-60-31-28-56(49)64/h1-36H.

What are the key properties of 5-[3-[6-pyridin-2-yl-4-[10-(4-pyrido[4,3-b]indol-5-ylphenyl)anthracen-9-yl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole?

5-[3-[6-pyridin-2-yl-4-[10-(4-pyrido[4,3-b]indol-5-ylphenyl)anthracen-9-yl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole has a molecular weight of 816.97 g/mol, XLogP of 14.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[6-pyridin-2-yl-4-[10-(4-pyrido[4,3-b]indol-5-ylphenyl)anthracen-9-yl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 89119653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).