9-[4-[6-[7-[3-[7-[2,6-bis(4-carbazol-9-ylphenyl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole

C116H80N8 — CID 89338149

About 9-[4-[6-[7-[3-[7-[2,6-bis(4-carbazol-9-ylphenyl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole

9-[4-[6-[7-[3-[7-[2,6-bis(4-carbazol-9-ylphenyl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole (PubChem CID 89338149) has the molecular formula C116H80N8 and a molecular weight of 1585.97 g/mol. Its IUPAC name is 9-[4-[6-[7-[3-[7-[2,6-bis(4-carbazol-9-ylphenyl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-[6-[7-[3-[7-[2,6-bis(4-carbazol-9-ylphenyl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
• PubChem CID: 89338149
• Molecular Formula: C116H80N8
• Molecular Weight: 1585.97 g/mol
• Exact Mass: 1584.65
• IUPAC Name: 9-[4-[6-[7-[3-[7-[2,6-bis(4-carbazol-9-ylphenyl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
• SMILES: CC1(C)c2cc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6cc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)nc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)n6)ccc4-5)c3)ccc2-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccc(-n5c6c(c7ccccc75)CCC=C6)cc4)n3)cc21
• InChI: InChI=1S/C116H80N8/c1-115(2)97-65-77(48-60-85(97)87-62-50-79(67-99(87)115)103-69-101(71-40-52-81(53-41-71)121-105-32-13-5-24-89(105)90-25-6-14-33-106(90)121)117-113(119-103)73-44-56-83(57-45-73)123-109-36-17-9-28-93(109)94-29-10-18-37-110(94)123)75-22-21-23-76(64-75)78-49-61-86-88-63-51-80(68-100(88)116(3,4)98(86)66-78)104-70-102(72-42-54-82(55-43-72)122-107-34-15-7-26-91(107)92-27-8-16-35-108(92)122)118-114(120-104)74-46-58-84(59-47-74)124-111-38-19-11-30-95(111)96-31-12-20-39-112(96)124/h5-11,13-30,32-70H,12,31H2,1-4H3
• InChIKey: PYABXIXHELAWEN-UHFFFAOYSA-N
• XLogP: 29.41
• TPSA: 71.28 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1585.97
LogP ≤ 5	29.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9-[4-[6-[7-[3-[7-[2,6-bis(4-carbazol-9-ylphenyl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole?

The IUPAC name of 9-[4-[6-[7-[3-[7-[2,6-bis(4-carbazol-9-ylphenyl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole (CID 89338149) is 9-[4-[6-[7-[3-[7-[2,6-bis(4-carbazol-9-ylphenyl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole.

What is the SMILES notation for 9-[4-[6-[7-[3-[7-[2,6-bis(4-carbazol-9-ylphenyl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole?

The canonical SMILES for 9-[4-[6-[7-[3-[7-[2,6-bis(4-carbazol-9-ylphenyl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole is CC1(C)c2cc(-c3cccc(-c4ccc5c(c4)C(C)(C)c4cc(-c6cc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)nc(-c7ccc(-n8c9ccccc9c9ccccc98)cc7)n6)ccc4-5)c3)ccc2-c2ccc(-c3cc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)nc(-c4ccc(-n5c6c(c7ccccc75)CCC=C6)cc4)n3)cc21.

What is the InChIKey of 9-[4-[6-[7-[3-[7-[2,6-bis(4-carbazol-9-ylphenyl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole?

The InChIKey is PYABXIXHELAWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H80N8/c1-115(2)97-65-77(48-60-85(97)87-62-50-79(67-99(87)115)103-69-101(71-40-52-81(53-41-71)121-105-32-13-5-24-89(105)90-25-6-14-33-106(90)121)117-113(119-103)73-44-56-83(57-45-73)123-109-36-17-9-28-93(109)94-29-10-18-37-110(94)123)75-22-21-23-76(64-75)78-49-61-86-88-63-51-80(68-100(88)116(3,4)98(86)66-78)104-70-102(72-42-54-82(55-43-72)122-107-34-15-7-26-91(107)92-27-8-16-35-108(92)122)118-114(120-104)74-46-58-84(59-47-74)124-111-38-19-11-30-95(111)96-31-12-20-39-112(96)124/h5-11,13-30,32-70H,12,31H2,1-4H3.

What are the key properties of 9-[4-[6-[7-[3-[7-[2,6-bis(4-carbazol-9-ylphenyl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole?

9-[4-[6-[7-[3-[7-[2,6-bis(4-carbazol-9-ylphenyl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole has a molecular weight of 1585.97 g/mol, XLogP of 29.41, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[6-[7-[3-[7-[2,6-bis(4-carbazol-9-ylphenyl)pyrimidin-4-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-2-[4-(3,4-dihydrocarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 89338149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).