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

C60H36F6N4 — CID 155447541

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

3-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 155447541) has the molecular formula C60H36F6N4 and a molecular weight of 926.96 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole
• PubChem CID: 155447541
• Molecular Formula: C60H36F6N4
• Molecular Weight: 926.96 g/mol
• Exact Mass: 926.28
• IUPAC Name: 3-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole
• SMILES: FC(F)(F)c1ccccc1-c1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2ccccc2C(F)(F)F)c1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21
• InChI: InChI=1S/C60H36F6N4/c61-59(62,63)49-26-12-7-21-41(49)47-33-39(52-36-51(37-17-3-1-4-18-37)67-58(68-52)38-19-5-2-6-20-38)34-48(42-22-8-13-27-50(42)60(64,65)66)57(47)70-55-30-16-11-25-45(55)46-35-40(31-32-56(46)70)69-53-28-14-9-23-43(53)44-24-10-15-29-54(44)69/h1-36H
• InChIKey: JMFGEHGTAWPFDJ-UHFFFAOYSA-N
• XLogP: 17.04
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	926.96
LogP ≤ 5	17.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole (CID 155447541) is 3-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole.

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

The canonical SMILES for 3-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole is FC(F)(F)c1ccccc1-c1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc(-c2ccccc2C(F)(F)F)c1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21.

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

The InChIKey is JMFGEHGTAWPFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36F6N4/c61-59(62,63)49-26-12-7-21-41(49)47-33-39(52-36-51(37-17-3-1-4-18-37)67-58(68-52)38-19-5-2-6-20-38)34-48(42-22-8-13-27-50(42)60(64,65)66)57(47)70-55-30-16-11-25-45(55)46-35-40(31-32-56(46)70)69-53-28-14-9-23-43(53)44-24-10-15-29-54(44)69/h1-36H.

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

3-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 926.96 g/mol, XLogP of 17.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-carbazol-9-yl-9-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis[2-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 155447541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).