5-[4-[[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole

C48H34N4 — CID 59344150

About 5-[4-[[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole

5-[4-[[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole (PubChem CID 59344150) has the molecular formula C48H34N4 and a molecular weight of 666.83 g/mol. Its IUPAC name is 5-[4-[[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-[4-[[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole
• PubChem CID: 59344150
• Molecular Formula: C48H34N4
• Molecular Weight: 666.83 g/mol
• Exact Mass: 666.28
• IUPAC Name: 5-[4-[[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole
• SMILES: c1ccc2c(c1)c1cnccc1n2-c1ccc(Cc2ccc(-c3ccc(Cc4ccc(-n5c6ccccc6c6cnccc65)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C48H34N4/c1-3-7-45-41(5-1)43-31-49-27-25-47(43)51(45)39-21-13-35(14-22-39)29-33-9-17-37(18-10-33)38-19-11-34(12-20-38)30-36-15-23-40(24-16-36)52-46-8-4-2-6-42(46)44-32-50-28-26-48(44)52/h1-28,31-32H,29-30H2
• InChIKey: LQOHOOMFOMWVOC-UHFFFAOYSA-N
• XLogP: 11.52
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	666.83
LogP ≤ 5	11.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole?

The IUPAC name of 5-[4-[[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole (CID 59344150) is 5-[4-[[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole.

What is the SMILES notation for 5-[4-[[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole?

The canonical SMILES for 5-[4-[[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole is c1ccc2c(c1)c1cnccc1n2-c1ccc(Cc2ccc(-c3ccc(Cc4ccc(-n5c6ccccc6c6cnccc65)cc4)cc3)cc2)cc1.

What is the InChIKey of 5-[4-[[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole?

The InChIKey is LQOHOOMFOMWVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N4/c1-3-7-45-41(5-1)43-31-49-27-25-47(43)51(45)39-21-13-35(14-22-39)29-33-9-17-37(18-10-33)38-19-11-34(12-20-38)30-36-15-23-40(24-16-36)52-46-8-4-2-6-42(46)44-32-50-28-26-48(44)52/h1-28,31-32H,29-30H2.

What are the key properties of 5-[4-[[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole?

5-[4-[[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole has a molecular weight of 666.83 g/mol, XLogP of 11.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[4-[4-[(4-pyrido[4,3-b]indol-5-ylphenyl)methyl]phenyl]phenyl]methyl]phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 59344150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).