9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2-[3-[2-[3-[9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-6-(3-methylphenyl)carbazol-3-yl]phenyl]ethyl]phenyl]-7-(3-methylphenyl)carbazole

C130H86F6N10 — CID 138555528

About 9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2-[3-[2-[3-[9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-6-(3-methylphenyl)carbazol-3-yl]phenyl]ethyl]phenyl]-7-(3-methylphenyl)carbazole

9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2-[3-[2-[3-[9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-6-(3-methylphenyl)carbazol-3-yl]phenyl]ethyl]phenyl]-7-(3-methylphenyl)carbazole (PubChem CID 138555528) has the molecular formula C130H86F6N10 and a molecular weight of 1902.18 g/mol. Its IUPAC name is 9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2-[3-[2-[3-[9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-6-(3-methylphenyl)carbazol-3-yl]phenyl]ethyl]phenyl]-7-(3-methylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2-[3-[2-[3-[9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-6-(3-methylphenyl)carbazol-3-yl]phenyl]ethyl]phenyl]-7-(3-methylphenyl)carbazole
• PubChem CID: 138555528
• Molecular Formula: C130H86F6N10
• Molecular Weight: 1902.18 g/mol
• Exact Mass: 1900.69
• IUPAC Name: 9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2-[3-[2-[3-[9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-6-(3-methylphenyl)carbazol-3-yl]phenyl]ethyl]phenyl]-7-(3-methylphenyl)carbazole
• SMILES: Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(CCc5cccc(-c6ccc7c8ccc(-c9cccc(C)c9)cc8n(-c8c(-c9cc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cc(C(F)(F)F)cc8-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6)c5)c4)ccc2n3-c2c(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(C(F)(F)F)cc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1
• InChI: InChI=1S/C130H86F6N10/c1-81-31-27-51-93(65-81)97-59-63-119-105(69-97)106-70-98(60-64-120(106)145(119)123-107(115-77-111(85-35-11-3-12-36-85)137-125(141-115)89-43-19-7-20-44-89)73-101(129(131,132)133)74-108(123)116-78-112(86-37-13-4-14-38-86)138-126(142-116)90-45-21-8-22-46-90)95-53-29-33-83(67-95)55-56-84-34-30-54-96(68-84)100-58-62-104-103-61-57-99(94-52-28-32-82(2)66-94)71-121(103)146(122(104)72-100)124-109(117-79-113(87-39-15-5-16-40-87)139-127(143-117)91-47-23-9-24-48-91)75-102(130(134,135)136)76-110(124)118-80-114(88-41-17-6-18-42-88)140-128(144-118)92-49-25-10-26-50-92/h3-54,57-80H,55-56H2,1-2H3
• InChIKey: DKRHJXPOLDQTDK-UHFFFAOYSA-N
• XLogP: 34.15
• TPSA: 112.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 21
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1902.18
LogP ≤ 5	34.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2-[3-[2-[3-[9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-6-(3-methylphenyl)carbazol-3-yl]phenyl]ethyl]phenyl]-7-(3-methylphenyl)carbazole?

The IUPAC name of 9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2-[3-[2-[3-[9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-6-(3-methylphenyl)carbazol-3-yl]phenyl]ethyl]phenyl]-7-(3-methylphenyl)carbazole (CID 138555528) is 9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2-[3-[2-[3-[9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-6-(3-methylphenyl)carbazol-3-yl]phenyl]ethyl]phenyl]-7-(3-methylphenyl)carbazole.

What is the SMILES notation for 9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2-[3-[2-[3-[9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-6-(3-methylphenyl)carbazol-3-yl]phenyl]ethyl]phenyl]-7-(3-methylphenyl)carbazole?

The canonical SMILES for 9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2-[3-[2-[3-[9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-6-(3-methylphenyl)carbazol-3-yl]phenyl]ethyl]phenyl]-7-(3-methylphenyl)carbazole is Cc1cccc(-c2ccc3c(c2)c2cc(-c4cccc(CCc5cccc(-c6ccc7c8ccc(-c9cccc(C)c9)cc8n(-c8c(-c9cc(-c%10ccccc%10)nc(-c%10ccccc%10)n9)cc(C(F)(F)F)cc8-c8cc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6)c5)c4)ccc2n3-c2c(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc(C(F)(F)F)cc2-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1.

What is the InChIKey of 9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2-[3-[2-[3-[9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-6-(3-methylphenyl)carbazol-3-yl]phenyl]ethyl]phenyl]-7-(3-methylphenyl)carbazole?

The InChIKey is DKRHJXPOLDQTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C130H86F6N10/c1-81-31-27-51-93(65-81)97-59-63-119-105(69-97)106-70-98(60-64-120(106)145(119)123-107(115-77-111(85-35-11-3-12-36-85)137-125(141-115)89-43-19-7-20-44-89)73-101(129(131,132)133)74-108(123)116-78-112(86-37-13-4-14-38-86)138-126(142-116)90-45-21-8-22-46-90)95-53-29-33-83(67-95)55-56-84-34-30-54-96(68-84)100-58-62-104-103-61-57-99(94-52-28-32-82(2)66-94)71-121(103)146(122(104)72-100)124-109(117-79-113(87-39-15-5-16-40-87)139-127(143-117)91-47-23-9-24-48-91)75-102(130(134,135)136)76-110(124)118-80-114(88-41-17-6-18-42-88)140-128(144-118)92-49-25-10-26-50-92/h3-54,57-80H,55-56H2,1-2H3.

What are the key properties of 9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2-[3-[2-[3-[9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-6-(3-methylphenyl)carbazol-3-yl]phenyl]ethyl]phenyl]-7-(3-methylphenyl)carbazole?

9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2-[3-[2-[3-[9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-6-(3-methylphenyl)carbazol-3-yl]phenyl]ethyl]phenyl]-7-(3-methylphenyl)carbazole has a molecular weight of 1902.18 g/mol, XLogP of 34.15, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-2-[3-[2-[3-[9-[2,6-bis(2,6-diphenylpyrimidin-4-yl)-4-(trifluoromethyl)phenyl]-6-(3-methylphenyl)carbazol-3-yl]phenyl]ethyl]phenyl]-7-(3-methylphenyl)carbazole is sourced from PubChem (CID 138555528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).