3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[2-(3-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-6-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole

C87H50F12N4 — CID 166786381

About 3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[2-(3-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-6-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole

3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[2-(3-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-6-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole (PubChem CID 166786381) has the molecular formula C87H50F12N4 and a molecular weight of 1379.36 g/mol. Its IUPAC name is 3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[2-(3-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-6-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[2-(3-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-6-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole
• PubChem CID: 166786381
• Molecular Formula: C87H50F12N4
• Molecular Weight: 1379.36 g/mol
• Exact Mass: 1378.38
• IUPAC Name: 3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[2-(3-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-6-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole
• SMILES: FC(F)(F)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc2n3-c2c(-c3cccc(C4c5ccccc5-c5ccccc54)c3)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c(C(F)(F)F)c1
• InChI: InChI=1S/C87H50F12N4/c88-84(89,90)58-35-37-61(73(47-58)86(94,95)96)54-33-39-79-71(43-54)72-44-55(62-38-36-59(85(91,92)93)48-74(62)87(97,98)99)34-40-80(72)103(79)82-69(52-21-15-23-56(41-52)81-67-29-9-7-25-63(67)64-26-8-10-30-68(64)81)45-57(76-49-75(50-17-3-1-4-18-50)100-83(101-76)51-19-5-2-6-20-51)46-70(82)53-22-16-24-60(42-53)102-77-31-13-11-27-65(77)66-28-12-14-32-78(66)102/h1-49,81H
• InChIKey: QGEWNGTUWDBJBR-UHFFFAOYSA-N
• XLogP: 25.58
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1379.36
LogP ≤ 5	25.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[2-(3-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-6-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole (CID 166786381) is 3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[2-(3-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-6-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole.

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

The canonical SMILES for 3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[2-(3-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-6-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole is FC(F)(F)c1ccc(-c2ccc3c(c2)c2cc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)ccc2n3-c2c(-c3cccc(C4c5ccccc5-c5ccccc54)c3)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-c2cccc(-n3c4ccccc4c4ccccc43)c2)c(C(F)(F)F)c1.

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

The InChIKey is QGEWNGTUWDBJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H50F12N4/c88-84(89,90)58-35-37-61(73(47-58)86(94,95)96)54-33-39-79-71(43-54)72-44-55(62-38-36-59(85(91,92)93)48-74(62)87(97,98)99)34-40-80(72)103(79)82-69(52-21-15-23-56(41-52)81-67-29-9-7-25-63(67)64-26-8-10-30-68(64)81)45-57(76-49-75(50-17-3-1-4-18-50)100-83(101-76)51-19-5-2-6-20-51)46-70(82)53-22-16-24-60(42-53)102-77-31-13-11-27-65(77)66-28-12-14-32-78(66)102/h1-49,81H.

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

3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[2-(3-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-6-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole has a molecular weight of 1379.36 g/mol, XLogP of 25.58, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,6-bis[2,4-bis(trifluoromethyl)phenyl]-9-[2-(3-carbazol-9-ylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-6-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 166786381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).