5-[4-[3-(4-pyrido[3,2-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[3,2-b]indole

C73H52N8 — CID 59653599

About 5-[4-[3-(4-pyrido[3,2-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[3,2-b]indole

5-[4-[3-(4-pyrido[3,2-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[3,2-b]indole (PubChem CID 59653599) has the molecular formula C73H52N8 and a molecular weight of 1041.27 g/mol. Its IUPAC name is 5-[4-[3-(4-pyrido[3,2-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[3,2-b]indole.

Molecular Properties

• Compound Name: 5-[4-[3-(4-pyrido[3,2-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[3,2-b]indole
• PubChem CID: 59653599
• Molecular Formula: C73H52N8
• Molecular Weight: 1041.27 g/mol
• Exact Mass: 1040.43
• IUPAC Name: 5-[4-[3-(4-pyrido[3,2-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[3,2-b]indole
• SMILES: c1ccc2c(c1)c1ncccc1n2-c1ccc(CC(Cc2ccc(-n3c4ccccc4c4ncccc43)cc2)(Cc2ccc(-n3c4ccccc4c4ncccc43)cc2)Cc2ccc(-n3c4ccccc4c4ncccc43)cc2)cc1
• InChI: InChI=1S/C73H52N8/c1-5-17-61-57(13-1)69-65(21-9-41-74-69)78(61)53-33-25-49(26-34-53)45-73(46-50-27-35-54(36-28-50)79-62-18-6-2-14-58(62)70-66(79)22-10-42-75-70,47-51-29-37-55(38-30-51)80-63-19-7-3-15-59(63)71-67(80)23-11-43-76-71)48-52-31-39-56(40-32-52)81-64-20-8-4-16-60(64)72-68(81)24-12-44-77-72/h1-44H,45-48H2
• InChIKey: ZYLOHDYVNSVNGV-UHFFFAOYSA-N
• XLogP: 16.91
• TPSA: 71.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1041.27
LogP ≤ 5	16.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(4-pyrido[3,2-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[3,2-b]indole?

The IUPAC name of 5-[4-[3-(4-pyrido[3,2-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[3,2-b]indole (CID 59653599) is 5-[4-[3-(4-pyrido[3,2-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[3,2-b]indole.

What is the SMILES notation for 5-[4-[3-(4-pyrido[3,2-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[3,2-b]indole?

The canonical SMILES for 5-[4-[3-(4-pyrido[3,2-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[3,2-b]indole is c1ccc2c(c1)c1ncccc1n2-c1ccc(CC(Cc2ccc(-n3c4ccccc4c4ncccc43)cc2)(Cc2ccc(-n3c4ccccc4c4ncccc43)cc2)Cc2ccc(-n3c4ccccc4c4ncccc43)cc2)cc1.

What is the InChIKey of 5-[4-[3-(4-pyrido[3,2-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[3,2-b]indole?

The InChIKey is ZYLOHDYVNSVNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H52N8/c1-5-17-61-57(13-1)69-65(21-9-41-74-69)78(61)53-33-25-49(26-34-53)45-73(46-50-27-35-54(36-28-50)79-62-18-6-2-14-58(62)70-66(79)22-10-42-75-70,47-51-29-37-55(38-30-51)80-63-19-7-3-15-59(63)71-67(80)23-11-43-76-71)48-52-31-39-56(40-32-52)81-64-20-8-4-16-60(64)72-68(81)24-12-44-77-72/h1-44H,45-48H2.

What are the key properties of 5-[4-[3-(4-pyrido[3,2-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[3,2-b]indole?

5-[4-[3-(4-pyrido[3,2-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[3,2-b]indole has a molecular weight of 1041.27 g/mol, XLogP of 16.91, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[3-(4-pyrido[3,2-b]indol-5-ylphenyl)-2,2-bis[(4-pyrido[3,2-b]indol-5-ylphenyl)methyl]propyl]phenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 59653599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).