9-[2-[5-[4-[9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole

C109H68F6N10 — CID 137414585

About 9-[2-[5-[4-[9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole

9-[2-[5-[4-[9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole (PubChem CID 137414585) has the molecular formula C109H68F6N10 and a molecular weight of 1631.80 g/mol. Its IUPAC name is 9-[2-[5-[4-[9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole.

Molecular Properties

• Compound Name: 9-[2-[5-[4-[9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
• PubChem CID: 137414585
• Molecular Formula: C109H68F6N10
• Molecular Weight: 1631.80 g/mol
• Exact Mass: 1630.55
• IUPAC Name: 9-[2-[5-[4-[9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole
• SMILES: Cc1cc(-c2c(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)ccc3-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)nc2-c2ccccc2)ccc1-c1ccc2c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2c1
• InChI: InChI=1S/C109H68F6N10/c1-67-58-77(47-52-82(67)76-46-53-84-83-44-26-27-45-95(83)125(100(84)61-76)99-55-49-78(104-116-89(68-28-10-2-11-29-68)64-90(117-104)69-30-12-3-13-31-69)59-87(99)106-120-93(72-36-18-6-19-37-72)66-94(121-106)73-38-20-7-21-39-73)101-102(74-40-22-8-23-41-74)122-107(123-103(101)75-42-24-9-25-43-75)88-60-79(105-118-91(70-32-14-4-15-33-70)65-92(119-105)71-34-16-5-17-35-71)48-54-98(88)124-96-56-50-80(108(110,111)112)62-85(96)86-63-81(109(113,114)115)51-57-97(86)124/h2-66H,1H3
• InChIKey: KJDWNRFZOJHUJW-UHFFFAOYSA-N
• XLogP: 28.72
• TPSA: 112.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1631.80
LogP ≤ 5	28.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 9-[2-[5-[4-[9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole?

The IUPAC name of 9-[2-[5-[4-[9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole (CID 137414585) is 9-[2-[5-[4-[9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole.

What is the SMILES notation for 9-[2-[5-[4-[9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole?

The canonical SMILES for 9-[2-[5-[4-[9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole is Cc1cc(-c2c(-c3ccccc3)nc(-c3cc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)ccc3-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)nc2-c2ccccc2)ccc1-c1ccc2c3ccccc3n(-c3ccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)cc3-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)c2c1.

What is the InChIKey of 9-[2-[5-[4-[9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole?

The InChIKey is KJDWNRFZOJHUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C109H68F6N10/c1-67-58-77(47-52-82(67)76-46-53-84-83-44-26-27-45-95(83)125(100(84)61-76)99-55-49-78(104-116-89(68-28-10-2-11-29-68)64-90(117-104)69-30-12-3-13-31-69)59-87(99)106-120-93(72-36-18-6-19-37-72)66-94(121-106)73-38-20-7-21-39-73)101-102(74-40-22-8-23-41-74)122-107(123-103(101)75-42-24-9-25-43-75)88-60-79(105-118-91(70-32-14-4-15-33-70)65-92(119-105)71-34-16-5-17-35-71)48-54-98(88)124-96-56-50-80(108(110,111)112)62-85(96)86-63-81(109(113,114)115)51-57-97(86)124/h2-66H,1H3.

What are the key properties of 9-[2-[5-[4-[9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole?

9-[2-[5-[4-[9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole has a molecular weight of 1631.80 g/mol, XLogP of 28.72, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[5-[4-[9-[2,4-bis(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-3-methylphenyl]-4,6-diphenylpyrimidin-2-yl]-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 137414585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).