3-[3-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-9-[4-[3-[9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-2-phenylcarbazole

C113H70N12 — CID 129147665

About 3-[3-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-9-[4-[3-[9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-2-phenylcarbazole

3-[3-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-9-[4-[3-[9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-2-phenylcarbazole (PubChem CID 129147665) has the molecular formula C113H70N12 and a molecular weight of 1595.89 g/mol. Its IUPAC name is 3-[3-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-9-[4-[3-[9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-2-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[3-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-9-[4-[3-[9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-2-phenylcarbazole
• PubChem CID: 129147665
• Molecular Formula: C113H70N12
• Molecular Weight: 1595.89 g/mol
• Exact Mass: 1594.58
• IUPAC Name: 3-[3-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-9-[4-[3-[9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-2-phenylcarbazole
• SMILES: c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cc(-c4ccnc(-n5c6ccccc6c6cc(-c7cccc(-c8cc(-c9ccccc9)nc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)n8)c7)c(-c7ccccc7)cc65)n4)c3)cc2)cc1
• InChI: InChI=1S/C113H70N12/c1-4-27-71(28-5-1)72-51-53-73(54-52-72)80-64-81(77-57-60-107-94(67-77)90-41-16-24-49-105(90)124(107)113-119-111(122-101-45-20-12-37-86(101)87-38-13-21-46-102(87)122)118-112(120-113)123-103-47-22-14-39-88(103)89-40-15-23-48-104(89)123)66-82(65-80)96-61-62-114-110(117-96)125-106-50-25-17-42-91(106)95-68-92(93(69-108(95)125)74-29-6-2-7-30-74)78-33-26-34-79(63-78)98-70-97(75-31-8-3-9-32-75)115-109(116-98)76-55-58-83(59-56-76)121-99-43-18-10-35-84(99)85-36-11-19-44-100(85)121/h1-70H
• InChIKey: QETBVDJYHCZROQ-UHFFFAOYSA-N
• XLogP: 27.94
• TPSA: 114.88 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 14
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1595.89
LogP ≤ 5	27.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-9-[4-[3-[9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-2-phenylcarbazole?

The IUPAC name of 3-[3-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-9-[4-[3-[9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-2-phenylcarbazole (CID 129147665) is 3-[3-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-9-[4-[3-[9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-2-phenylcarbazole.

What is the SMILES notation for 3-[3-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-9-[4-[3-[9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-2-phenylcarbazole?

The canonical SMILES for 3-[3-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-9-[4-[3-[9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-2-phenylcarbazole is c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cc(-c4ccnc(-n5c6ccccc6c6cc(-c7cccc(-c8cc(-c9ccccc9)nc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)n8)c7)c(-c7ccccc7)cc65)n4)c3)cc2)cc1.

What is the InChIKey of 3-[3-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-9-[4-[3-[9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-2-phenylcarbazole?

The InChIKey is QETBVDJYHCZROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C113H70N12/c1-4-27-71(28-5-1)72-51-53-73(54-52-72)80-64-81(77-57-60-107-94(67-77)90-41-16-24-49-105(90)124(107)113-119-111(122-101-45-20-12-37-86(101)87-38-13-21-46-102(87)122)118-112(120-113)123-103-47-22-14-39-88(103)89-40-15-23-48-104(89)123)66-82(65-80)96-61-62-114-110(117-96)125-106-50-25-17-42-91(106)95-68-92(93(69-108(95)125)74-29-6-2-7-30-74)78-33-26-34-79(63-78)98-70-97(75-31-8-3-9-32-75)115-109(116-98)76-55-58-83(59-56-76)121-99-43-18-10-35-84(99)85-36-11-19-44-100(85)121/h1-70H.

What are the key properties of 3-[3-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-9-[4-[3-[9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-2-phenylcarbazole?

3-[3-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-9-[4-[3-[9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-2-phenylcarbazole has a molecular weight of 1595.89 g/mol, XLogP of 27.94, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-9-[4-[3-[9-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-5-(4-phenylphenyl)phenyl]pyrimidin-2-yl]-2-phenylcarbazole is sourced from PubChem (CID 129147665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).