5-[4-[4-[[4-[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)phenyl]phenyl]methyl]phenyl]phenyl]pyrido[4,3-b]indole

C47H34N4 — CID 143035806

About 5-[4-[4-[[4-[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)phenyl]phenyl]methyl]phenyl]phenyl]pyrido[4,3-b]indole

5-[4-[4-[[4-[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)phenyl]phenyl]methyl]phenyl]phenyl]pyrido[4,3-b]indole (PubChem CID 143035806) has the molecular formula C47H34N4 and a molecular weight of 654.82 g/mol. Its IUPAC name is 5-[4-[4-[[4-[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)phenyl]phenyl]methyl]phenyl]phenyl]pyrido[4,3-b]indole.

Molecular Properties

• Compound Name: 5-[4-[4-[[4-[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)phenyl]phenyl]methyl]phenyl]phenyl]pyrido[4,3-b]indole
• PubChem CID: 143035806
• Molecular Formula: C47H34N4
• Molecular Weight: 654.82 g/mol
• Exact Mass: 654.28
• IUPAC Name: 5-[4-[4-[[4-[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)phenyl]phenyl]methyl]phenyl]phenyl]pyrido[4,3-b]indole
• SMILES: C1=Cc2c(c3cnccc3n2-c2ccc(-c3ccc(Cc4ccc(-c5ccc(-n6c7ccccc7c7cnccc76)cc5)cc4)cc3)cc2)CC1
• InChI: InChI=1S/C47H34N4/c1-3-7-44-40(5-1)42-30-48-27-25-46(42)50(44)38-21-17-36(18-22-38)34-13-9-32(10-14-34)29-33-11-15-35(16-12-33)37-19-23-39(24-20-37)51-45-8-4-2-6-41(45)43-31-49-28-26-47(43)51/h1,3-5,7-28,30-31H,2,6,29H2
• InChIKey: OOWINODGHHOYQF-UHFFFAOYSA-N
• XLogP: 11.40
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.82
LogP ≤ 5	11.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[[4-[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)phenyl]phenyl]methyl]phenyl]phenyl]pyrido[4,3-b]indole?

The IUPAC name of 5-[4-[4-[[4-[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)phenyl]phenyl]methyl]phenyl]phenyl]pyrido[4,3-b]indole (CID 143035806) is 5-[4-[4-[[4-[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)phenyl]phenyl]methyl]phenyl]phenyl]pyrido[4,3-b]indole.

What is the SMILES notation for 5-[4-[4-[[4-[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)phenyl]phenyl]methyl]phenyl]phenyl]pyrido[4,3-b]indole?

The canonical SMILES for 5-[4-[4-[[4-[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)phenyl]phenyl]methyl]phenyl]phenyl]pyrido[4,3-b]indole is C1=Cc2c(c3cnccc3n2-c2ccc(-c3ccc(Cc4ccc(-c5ccc(-n6c7ccccc7c7cnccc76)cc5)cc4)cc3)cc2)CC1.

What is the InChIKey of 5-[4-[4-[[4-[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)phenyl]phenyl]methyl]phenyl]phenyl]pyrido[4,3-b]indole?

The InChIKey is OOWINODGHHOYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N4/c1-3-7-44-40(5-1)42-30-48-27-25-46(42)50(44)38-21-17-36(18-22-38)34-13-9-32(10-14-34)29-33-11-15-35(16-12-33)37-19-23-39(24-20-37)51-45-8-4-2-6-41(45)43-31-49-28-26-47(43)51/h1,3-5,7-28,30-31H,2,6,29H2.

What are the key properties of 5-[4-[4-[[4-[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)phenyl]phenyl]methyl]phenyl]phenyl]pyrido[4,3-b]indole?

5-[4-[4-[[4-[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)phenyl]phenyl]methyl]phenyl]phenyl]pyrido[4,3-b]indole has a molecular weight of 654.82 g/mol, XLogP of 11.40, 6 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-(8,9-dihydropyrido[4,3-b]indol-5-yl)phenyl]phenyl]methyl]phenyl]phenyl]pyrido[4,3-b]indole is sourced from PubChem (CID 143035806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).