9-[3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole

C54H30F6N10 — CID 162571789

About 9-[3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole

9-[3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole (PubChem CID 162571789) has the molecular formula C54H30F6N10 and a molecular weight of 932.89 g/mol. Its IUPAC name is 9-[3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole.

Molecular Properties

• Compound Name: 9-[3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole
• PubChem CID: 162571789
• Molecular Formula: C54H30F6N10
• Molecular Weight: 932.89 g/mol
• Exact Mass: 932.26
• IUPAC Name: 9-[3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole
• SMILES: FC(F)(F)c1cccc(-c2c(-n3c4ccc(-c5ncccn5)cc4c4cc(-c5ncccn5)ccc43)cc(C(F)(F)F)cc2-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)c1
• InChI: InChI=1S/C54H30F6N10/c55-53(56,57)36-7-1-6-31(24-36)48-46(69-42-12-8-32(49-61-16-2-17-62-49)25-38(42)39-26-33(9-13-43(39)69)50-63-18-3-19-64-50)29-37(54(58,59)60)30-47(48)70-44-14-10-34(51-65-20-4-21-66-51)27-40(44)41-28-35(11-15-45(41)70)52-67-22-5-23-68-52/h1-30H
• InChIKey: FSXPXXWDFHLZTD-UHFFFAOYSA-N
• XLogP: 13.41
• TPSA: 112.98 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	932.89
LogP ≤ 5	13.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole?

The IUPAC name of 9-[3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole (CID 162571789) is 9-[3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole.

What is the SMILES notation for 9-[3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole?

The canonical SMILES for 9-[3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole is FC(F)(F)c1cccc(-c2c(-n3c4ccc(-c5ncccn5)cc4c4cc(-c5ncccn5)ccc43)cc(C(F)(F)F)cc2-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)c1.

What is the InChIKey of 9-[3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole?

The InChIKey is FSXPXXWDFHLZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H30F6N10/c55-53(56,57)36-7-1-6-31(24-36)48-46(69-42-12-8-32(49-61-16-2-17-62-49)25-38(42)39-26-33(9-13-43(39)69)50-63-18-3-19-64-50)29-37(54(58,59)60)30-47(48)70-44-14-10-34(51-65-20-4-21-66-51)27-40(44)41-28-35(11-15-45(41)70)52-67-22-5-23-68-52/h1-30H.

What are the key properties of 9-[3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole?

9-[3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole has a molecular weight of 932.89 g/mol, XLogP of 13.41, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[3,6-di(pyrimidin-2-yl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-di(pyrimidin-2-yl)carbazole is sourced from PubChem (CID 162571789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).