3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole

C102H66N10 — CID 160982403

About 3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole

3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole (PubChem CID 160982403) has the molecular formula C102H66N10 and a molecular weight of 1431.72 g/mol. Its IUPAC name is 3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole.

Molecular Properties

• Compound Name: 3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole
• PubChem CID: 160982403
• Molecular Formula: C102H66N10
• Molecular Weight: 1431.72 g/mol
• Exact Mass: 1430.55
• IUPAC Name: 3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole
• SMILES: c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6cnc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6cnc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1
• InChI: InChI=1S/2C51H33N5/c1-4-15-34(16-5-1)45-32-46(54-50(53-45)35-17-6-2-7-18-35)37-19-14-22-40(29-37)55-47-25-12-10-23-41(47)43-30-36(27-28-49(43)55)38-31-44-42-24-11-13-26-48(42)56(51(44)52-33-38)39-20-8-3-9-21-39;1-4-15-34(16-5-1)45-32-46(35-17-6-2-7-18-35)54-50(53-45)37-19-14-22-40(29-37)55-47-25-12-10-23-41(47)43-30-36(27-28-49(43)55)38-31-44-42-24-11-13-26-48(42)56(51(44)52-33-38)39-20-8-3-9-21-39/h2*1-33H
• InChIKey: SZRMPZOOKXLWAY-UHFFFAOYSA-N
• XLogP: 25.47
• TPSA: 97.06 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1431.72
LogP ≤ 5	25.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole?

The IUPAC name of 3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole (CID 160982403) is 3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole.

What is the SMILES notation for 3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole?

The canonical SMILES for 3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole is c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6cnc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6cnc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)c3)n2)cc1.

What is the InChIKey of 3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole?

The InChIKey is SZRMPZOOKXLWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H33N5/c1-4-15-34(16-5-1)45-32-46(54-50(53-45)35-17-6-2-7-18-35)37-19-14-22-40(29-37)55-47-25-12-10-23-41(47)43-30-36(27-28-49(43)55)38-31-44-42-24-11-13-26-48(42)56(51(44)52-33-38)39-20-8-3-9-21-39;1-4-15-34(16-5-1)45-32-46(35-17-6-2-7-18-35)54-50(53-45)37-19-14-22-40(29-37)55-47-25-12-10-23-41(47)43-30-36(27-28-49(43)55)38-31-44-42-24-11-13-26-48(42)56(51(44)52-33-38)39-20-8-3-9-21-39/h2*1-33H.

What are the key properties of 3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole?

3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole has a molecular weight of 1431.72 g/mol, XLogP of 25.47, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole;3-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]-9-phenylpyrido[2,3-b]indole is sourced from PubChem (CID 160982403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).