2-[9-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-5-[9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-fluorophenyl)carbazole

C119H75FN10 — CID 147165185

About 2-[9-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-5-[9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-fluorophenyl)carbazole

2-[9-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-5-[9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-fluorophenyl)carbazole (PubChem CID 147165185) has the molecular formula C119H75FN10 and a molecular weight of 1663.98 g/mol. Its IUPAC name is 2-[9-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-5-[9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-fluorophenyl)carbazole.

Molecular Properties

• Compound Name: 2-[9-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-5-[9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-fluorophenyl)carbazole
• PubChem CID: 147165185
• Molecular Formula: C119H75FN10
• Molecular Weight: 1663.98 g/mol
• Exact Mass: 1662.62
• IUPAC Name: 2-[9-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-5-[9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-fluorophenyl)carbazole
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc(-n5c6ccccc6c6cc(-c7cccc8c7c7ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9nccc(-c%10cccc(-n%11c%12ccccc%12c%12ccccc%12%11)c%10)n9)cc7n8-c7ccc(F)cc7)ccc65)c4)nc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)n3)cc21
• InChI: InChI=1S/C119H75FN10/c1-119(2)99-37-13-6-29-86(99)87-55-47-79(68-100(87)119)103-71-102(123-118(124-103)130-109-43-19-12-35-93(109)97-66-72(49-59-112(97)130)74-45-56-94-90-32-9-14-38-104(90)125(114(94)69-74)81-25-4-3-5-26-81)78-24-21-28-84(64-78)128-107-41-17-10-33-91(107)98-67-76(50-60-110(98)128)85-36-22-44-113-116(85)95-57-46-75(70-115(95)126(113)82-53-51-80(120)52-54-82)73-48-58-111-96(65-73)92-34-11-18-42-108(92)129(111)117-121-62-61-101(122-117)77-23-20-27-83(63-77)127-105-39-15-7-30-88(105)89-31-8-16-40-106(89)127/h3-71H,1-2H3
• InChIKey: BWPWURHSRSCAPK-UHFFFAOYSA-N
• XLogP: 30.30
• TPSA: 81.14 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1663.98
LogP ≤ 5	30.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-5-[9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-fluorophenyl)carbazole?

The IUPAC name of 2-[9-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-5-[9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-fluorophenyl)carbazole (CID 147165185) is 2-[9-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-5-[9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-fluorophenyl)carbazole.

What is the SMILES notation for 2-[9-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-5-[9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-fluorophenyl)carbazole?

The canonical SMILES for 2-[9-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-5-[9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-fluorophenyl)carbazole is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cccc(-n5c6ccccc6c6cc(-c7cccc8c7c7ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9nccc(-c%10cccc(-n%11c%12ccccc%12c%12ccccc%12%11)c%10)n9)cc7n8-c7ccc(F)cc7)ccc65)c4)nc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)n3)cc21.

What is the InChIKey of 2-[9-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-5-[9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-fluorophenyl)carbazole?

The InChIKey is BWPWURHSRSCAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C119H75FN10/c1-119(2)99-37-13-6-29-86(99)87-55-47-79(68-100(87)119)103-71-102(123-118(124-103)130-109-43-19-12-35-93(109)97-66-72(49-59-112(97)130)74-45-56-94-90-32-9-14-38-104(90)125(114(94)69-74)81-25-4-3-5-26-81)78-24-21-28-84(64-78)128-107-41-17-10-33-91(107)98-67-76(50-60-110(98)128)85-36-22-44-113-116(85)95-57-46-75(70-115(95)126(113)82-53-51-80(120)52-54-82)73-48-58-111-96(65-73)92-34-11-18-42-108(92)129(111)117-121-62-61-101(122-117)77-23-20-27-83(63-77)127-105-39-15-7-30-88(105)89-31-8-16-40-106(89)127/h3-71H,1-2H3.

What are the key properties of 2-[9-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-5-[9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-fluorophenyl)carbazole?

2-[9-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-5-[9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-fluorophenyl)carbazole has a molecular weight of 1663.98 g/mol, XLogP of 30.30, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[9-[4-(3-carbazol-9-ylphenyl)pyrimidin-2-yl]carbazol-3-yl]-5-[9-[3-[6-(9,9-dimethylfluoren-2-yl)-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-(4-fluorophenyl)carbazole is sourced from PubChem (CID 147165185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).