9-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3,4,6-tris(pyrido[2,3-b]indol-9-yl)phenyl]pyrido[2,3-b]indole

C71H42N12 — CID 176634498

About 9-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3,4,6-tris(pyrido[2,3-b]indol-9-yl)phenyl]pyrido[2,3-b]indole

9-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3,4,6-tris(pyrido[2,3-b]indol-9-yl)phenyl]pyrido[2,3-b]indole (PubChem CID 176634498) has the molecular formula C71H42N12 and a molecular weight of 1063.20 g/mol. Its IUPAC name is 9-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3,4,6-tris(pyrido[2,3-b]indol-9-yl)phenyl]pyrido[2,3-b]indole.

Molecular Properties

• Compound Name: 9-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3,4,6-tris(pyrido[2,3-b]indol-9-yl)phenyl]pyrido[2,3-b]indole
• PubChem CID: 176634498
• Molecular Formula: C71H42N12
• Molecular Weight: 1063.20 g/mol
• Exact Mass: 1062.37
• IUPAC Name: 9-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3,4,6-tris(pyrido[2,3-b]indol-9-yl)phenyl]pyrido[2,3-b]indole
• SMILES: c1ccc(-c2nc(-c3c(-n4c5ccccc5c5cccnc54)c(-n4c5ccccc5c5cccnc54)cc(-n4c5ccccc5c5cccnc54)c3-n3c4ccccc4c4cccnc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
• InChI: InChI=1S/C71H42N12/c1-2-20-43(21-3-1)65-76-66(78-71(77-65)81-56-34-12-4-22-44(56)45-23-5-13-35-57(45)81)62-63(82-58-36-14-8-26-48(58)52-30-18-40-74-69(52)82)60(79-54-32-10-6-24-46(54)50-28-16-38-72-67(50)79)42-61(80-55-33-11-7-25-47(55)51-29-17-39-73-68(51)80)64(62)83-59-37-15-9-27-49(59)53-31-19-41-75-70(53)83/h1-42H
• InChIKey: NMQUUECBBSTUJU-UHFFFAOYSA-N
• XLogP: 16.27
• TPSA: 114.88 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1063.20
LogP ≤ 5	16.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3,4,6-tris(pyrido[2,3-b]indol-9-yl)phenyl]pyrido[2,3-b]indole?

The IUPAC name of 9-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3,4,6-tris(pyrido[2,3-b]indol-9-yl)phenyl]pyrido[2,3-b]indole (CID 176634498) is 9-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3,4,6-tris(pyrido[2,3-b]indol-9-yl)phenyl]pyrido[2,3-b]indole.

What is the SMILES notation for 9-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3,4,6-tris(pyrido[2,3-b]indol-9-yl)phenyl]pyrido[2,3-b]indole?

The canonical SMILES for 9-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3,4,6-tris(pyrido[2,3-b]indol-9-yl)phenyl]pyrido[2,3-b]indole is c1ccc(-c2nc(-c3c(-n4c5ccccc5c5cccnc54)c(-n4c5ccccc5c5cccnc54)cc(-n4c5ccccc5c5cccnc54)c3-n3c4ccccc4c4cccnc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1.

What is the InChIKey of 9-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3,4,6-tris(pyrido[2,3-b]indol-9-yl)phenyl]pyrido[2,3-b]indole?

The InChIKey is NMQUUECBBSTUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H42N12/c1-2-20-43(21-3-1)65-76-66(78-71(77-65)81-56-34-12-4-22-44(56)45-23-5-13-35-57(45)81)62-63(82-58-36-14-8-26-48(58)52-30-18-40-74-69(52)82)60(79-54-32-10-6-24-46(54)50-28-16-38-72-67(50)79)42-61(80-55-33-11-7-25-47(55)51-29-17-39-73-68(51)80)64(62)83-59-37-15-9-27-49(59)53-31-19-41-75-70(53)83/h1-42H.

What are the key properties of 9-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3,4,6-tris(pyrido[2,3-b]indol-9-yl)phenyl]pyrido[2,3-b]indole?

9-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3,4,6-tris(pyrido[2,3-b]indol-9-yl)phenyl]pyrido[2,3-b]indole has a molecular weight of 1063.20 g/mol, XLogP of 16.27, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-3,4,6-tris(pyrido[2,3-b]indol-9-yl)phenyl]pyrido[2,3-b]indole is sourced from PubChem (CID 176634498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).