8-[3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole;8-[3-[3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine

C127H80N10O — CID 160530404

About 8-[3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole;8-[3-[3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine

8-[3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole;8-[3-[3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 160530404) has the molecular formula C127H80N10O and a molecular weight of 1762.11 g/mol. Its IUPAC name is 8-[3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole;8-[3-[3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

• Compound Name: 8-[3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole;8-[3-[3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
• PubChem CID: 160530404
• Molecular Formula: C127H80N10O
• Molecular Weight: 1762.11 g/mol
• Exact Mass: 1760.65
• IUPAC Name: 8-[3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole;8-[3-[3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
• SMILES: c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6ncccc6n7-c6ccccc6)cc54)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8oc9cccnc9c8c7)c6)ccc54)c3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C64H41N5.C63H39N5O/c1-4-15-43(16-5-1)56-38-47(39-57(66-56)44-17-6-2-7-18-44)42-26-30-49(31-27-42)68-58-23-12-10-21-51(58)53-33-28-46(40-63(53)68)45-29-34-60-54(37-45)52-22-11-13-24-59(52)69(60)50-32-35-61-55(41-50)64-62(25-14-36-65-64)67(61)48-19-8-3-9-20-48;1-3-14-40(15-4-1)54-39-55(66-63(65-54)41-16-5-2-6-17-41)46-20-12-21-47(35-46)67-56-24-9-7-22-49(56)51-36-44(27-30-58(51)67)42-18-11-19-43(34-42)45-28-31-59-52(37-45)50-23-8-10-25-57(50)68(59)48-29-32-60-53(38-48)62-61(69-60)26-13-33-64-62/h1-41H;1-39H
• InChIKey: QVLOLUHIAYRTPF-UHFFFAOYSA-N
• XLogP: 32.74
• TPSA: 102.24 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1762.11
LogP ≤ 5	32.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 8-[3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole;8-[3-[3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine?

The IUPAC name of 8-[3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole;8-[3-[3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine (CID 160530404) is 8-[3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole;8-[3-[3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine.

What is the SMILES notation for 8-[3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole;8-[3-[3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine?

The canonical SMILES for 8-[3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole;8-[3-[3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6ncccc6n7-c6ccccc6)cc54)cc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6cccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8oc9cccnc9c8c7)c6)ccc54)c3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 8-[3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole;8-[3-[3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine?

The InChIKey is QVLOLUHIAYRTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N5.C63H39N5O/c1-4-15-43(16-5-1)56-38-47(39-57(66-56)44-17-6-2-7-18-44)42-26-30-49(31-27-42)68-58-23-12-10-21-51(58)53-33-28-46(40-63(53)68)45-29-34-60-54(37-45)52-22-11-13-24-59(52)69(60)50-32-35-61-55(41-50)64-62(25-14-36-65-64)67(61)48-19-8-3-9-20-48;1-3-14-40(15-4-1)54-39-55(66-63(65-54)41-16-5-2-6-17-41)46-20-12-21-47(35-46)67-56-24-9-7-22-49(56)51-36-44(27-30-58(51)67)42-18-11-19-43(34-42)45-28-31-59-52(37-45)50-23-8-10-25-57(50)68(59)48-29-32-60-53(38-48)62-61(69-60)26-13-33-64-62/h1-41H;1-39H.

What are the key properties of 8-[3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole;8-[3-[3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine?

8-[3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole;8-[3-[3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 1762.11 g/mol, XLogP of 32.74, 14 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-[9-[4-(2,6-diphenyl-4-pyridinyl)phenyl]carbazol-2-yl]carbazol-9-yl]-5-phenylpyrido[3,2-b]indole;8-[3-[3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]phenyl]carbazol-9-yl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 160530404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).