9-[4-[2-[3-[9-[3-carbazol-9-yl-5-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]carbazol-3-yl]phenyl]-6-phenylpyrimidin-4-yl]-6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole

C112H71N9 — CID 138593192

About 9-[4-[2-[3-[9-[3-carbazol-9-yl-5-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]carbazol-3-yl]phenyl]-6-phenylpyrimidin-4-yl]-6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole

9-[4-[2-[3-[9-[3-carbazol-9-yl-5-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]carbazol-3-yl]phenyl]-6-phenylpyrimidin-4-yl]-6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole (PubChem CID 138593192) has the molecular formula C112H71N9 and a molecular weight of 1542.86 g/mol. Its IUPAC name is 9-[4-[2-[3-[9-[3-carbazol-9-yl-5-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]carbazol-3-yl]phenyl]-6-phenylpyrimidin-4-yl]-6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole.

Molecular Properties

• Compound Name: 9-[4-[2-[3-[9-[3-carbazol-9-yl-5-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]carbazol-3-yl]phenyl]-6-phenylpyrimidin-4-yl]-6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole
• PubChem CID: 138593192
• Molecular Formula: C112H71N9
• Molecular Weight: 1542.86 g/mol
• Exact Mass: 1541.58
• IUPAC Name: 9-[4-[2-[3-[9-[3-carbazol-9-yl-5-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]carbazol-3-yl]phenyl]-6-phenylpyrimidin-4-yl]-6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6c(-c7ccccc7)nc7ccccn67)cc(-n6c7ccccc7c7ccccc76)c5)c4)n3)cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)n2)cc1
• InChI: InChI=1S/C112H71N9/c1-7-28-72(29-8-1)79-49-55-103-93(63-79)94-64-80(73-30-9-2-10-31-73)50-56-104(94)120(103)108-68-85(69-109(115-108)121-105-57-51-81(74-32-11-3-12-33-74)65-95(105)96-66-82(52-58-106(96)121)75-34-13-4-14-35-75)98-71-97(76-36-15-5-16-37-76)113-112(114-98)84-41-27-40-78(60-84)83-53-54-102-92(67-83)91-44-21-24-47-101(91)119(102)88-62-86(111-110(77-38-17-6-18-39-77)116-107-48-25-26-59-117(107)111)61-87(70-88)118-99-45-22-19-42-89(99)90-43-20-23-46-100(90)118/h1-71H
• InChIKey: LMIAVJHBQVYOEO-UHFFFAOYSA-N
• XLogP: 28.58
• TPSA: 75.69 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1542.86
LogP ≤ 5	28.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-[3-[9-[3-carbazol-9-yl-5-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]carbazol-3-yl]phenyl]-6-phenylpyrimidin-4-yl]-6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole?

The IUPAC name of 9-[4-[2-[3-[9-[3-carbazol-9-yl-5-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]carbazol-3-yl]phenyl]-6-phenylpyrimidin-4-yl]-6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole (CID 138593192) is 9-[4-[2-[3-[9-[3-carbazol-9-yl-5-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]carbazol-3-yl]phenyl]-6-phenylpyrimidin-4-yl]-6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole.

What is the SMILES notation for 9-[4-[2-[3-[9-[3-carbazol-9-yl-5-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]carbazol-3-yl]phenyl]-6-phenylpyrimidin-4-yl]-6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole?

The canonical SMILES for 9-[4-[2-[3-[9-[3-carbazol-9-yl-5-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]carbazol-3-yl]phenyl]-6-phenylpyrimidin-4-yl]-6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5cc(-c6c(-c7ccccc7)nc7ccccn67)cc(-n6c7ccccc7c7ccccc76)c5)c4)n3)cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)n2)cc1.

What is the InChIKey of 9-[4-[2-[3-[9-[3-carbazol-9-yl-5-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]carbazol-3-yl]phenyl]-6-phenylpyrimidin-4-yl]-6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole?

The InChIKey is LMIAVJHBQVYOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H71N9/c1-7-28-72(29-8-1)79-49-55-103-93(63-79)94-64-80(73-30-9-2-10-31-73)50-56-104(94)120(103)108-68-85(69-109(115-108)121-105-57-51-81(74-32-11-3-12-33-74)65-95(105)96-66-82(52-58-106(96)121)75-34-13-4-14-35-75)98-71-97(76-36-15-5-16-37-76)113-112(114-98)84-41-27-40-78(60-84)83-53-54-102-92(67-83)91-44-21-24-47-101(91)119(102)88-62-86(111-110(77-38-17-6-18-39-77)116-107-48-25-26-59-117(107)111)61-87(70-88)118-99-45-22-19-42-89(99)90-43-20-23-46-100(90)118/h1-71H.

What are the key properties of 9-[4-[2-[3-[9-[3-carbazol-9-yl-5-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]carbazol-3-yl]phenyl]-6-phenylpyrimidin-4-yl]-6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole?

9-[4-[2-[3-[9-[3-carbazol-9-yl-5-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]carbazol-3-yl]phenyl]-6-phenylpyrimidin-4-yl]-6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole has a molecular weight of 1542.86 g/mol, XLogP of 28.58, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[2-[3-[9-[3-carbazol-9-yl-5-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]carbazol-3-yl]phenyl]-6-phenylpyrimidin-4-yl]-6-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-3,6-diphenylcarbazole is sourced from PubChem (CID 138593192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).