8-methyl-5-[3-methyl-4-[2-methyl-4-(8-methylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[4,3-b]indole

C38H30N4 — CID 118245939

About 8-methyl-5-[3-methyl-4-[2-methyl-4-(8-methylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[4,3-b]indole

8-methyl-5-[3-methyl-4-[2-methyl-4-(8-methylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[4,3-b]indole (PubChem CID 118245939) has the molecular formula C38H30N4 and a molecular weight of 542.69 g/mol. Its IUPAC name is 8-methyl-5-[3-methyl-4-[2-methyl-4-(8-methylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 8-methyl-5-[3-methyl-4-[2-methyl-4-(8-methylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[4,3-b]indole
• PubChem CID: 118245939
• Molecular Formula: C38H30N4
• Molecular Weight: 542.69 g/mol
• Exact Mass: 542.25
• IUPAC Name: 8-methyl-5-[3-methyl-4-[2-methyl-4-(8-methylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[4,3-b]indole
• SMILES: Cc1ccc2c(c1)c1cnccc1n2-c1ccc(-c2ccc(-n3c4ccc(C)cc4c4ncccc43)cc2C)c(C)c1
• InChI: InChI=1S/C38H30N4/c1-23-7-13-34-31(18-23)33-22-39-17-15-36(33)41(34)27-9-11-29(25(3)20-27)30-12-10-28(21-26(30)4)42-35-14-8-24(2)19-32(35)38-37(42)6-5-16-40-38/h5-22H,1-4H3
• InChIKey: AWUGSWAXOQSCTQ-UHFFFAOYSA-N
• XLogP: 9.57
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.69
LogP ≤ 5	9.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-[3-methyl-4-[2-methyl-4-(8-methylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[4,3-b]indole?

The IUPAC name of 8-methyl-5-[3-methyl-4-[2-methyl-4-(8-methylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[4,3-b]indole (CID 118245939) is 8-methyl-5-[3-methyl-4-[2-methyl-4-(8-methylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[4,3-b]indole.

What is the SMILES notation for 8-methyl-5-[3-methyl-4-[2-methyl-4-(8-methylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[4,3-b]indole?

The canonical SMILES for 8-methyl-5-[3-methyl-4-[2-methyl-4-(8-methylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[4,3-b]indole is Cc1ccc2c(c1)c1cnccc1n2-c1ccc(-c2ccc(-n3c4ccc(C)cc4c4ncccc43)cc2C)c(C)c1.

What is the InChIKey of 8-methyl-5-[3-methyl-4-[2-methyl-4-(8-methylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[4,3-b]indole?

The InChIKey is AWUGSWAXOQSCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N4/c1-23-7-13-34-31(18-23)33-22-39-17-15-36(33)41(34)27-9-11-29(25(3)20-27)30-12-10-28(21-26(30)4)42-35-14-8-24(2)19-32(35)38-37(42)6-5-16-40-38/h5-22H,1-4H3.

What are the key properties of 8-methyl-5-[3-methyl-4-[2-methyl-4-(8-methylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[4,3-b]indole?

8-methyl-5-[3-methyl-4-[2-methyl-4-(8-methylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[4,3-b]indole has a molecular weight of 542.69 g/mol, XLogP of 9.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-5-[3-methyl-4-[2-methyl-4-(8-methylpyrido[3,2-b]indol-5-yl)phenyl]phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 118245939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).