9-phenyl-N-(2,4,6-trifluorophenyl)-N-[4-[4-(2,4,6-trifluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine

C60H36F6N4 — CID 59844911

About 9-phenyl-N-(2,4,6-trifluorophenyl)-N-[4-[4-(2,4,6-trifluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine

9-phenyl-N-(2,4,6-trifluorophenyl)-N-[4-[4-(2,4,6-trifluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine (PubChem CID 59844911) has the molecular formula C60H36F6N4 and a molecular weight of 926.96 g/mol. Its IUPAC name is 9-phenyl-N-(2,4,6-trifluorophenyl)-N-[4-[4-(2,4,6-trifluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine.

Molecular Properties

• Compound Name: 9-phenyl-N-(2,4,6-trifluorophenyl)-N-[4-[4-(2,4,6-trifluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
• PubChem CID: 59844911
• Molecular Formula: C60H36F6N4
• Molecular Weight: 926.96 g/mol
• Exact Mass: 926.28
• IUPAC Name: 9-phenyl-N-(2,4,6-trifluorophenyl)-N-[4-[4-(2,4,6-trifluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
• SMILES: Fc1cc(F)c(N(c2ccc(-c3ccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4c(F)cc(F)cc4F)cc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c(F)c1
• InChI: InChI=1S/C60H36F6N4/c61-39-31-51(63)59(52(64)32-39)67(45-27-29-57-49(35-45)47-15-7-9-17-55(47)69(57)41-11-3-1-4-12-41)43-23-19-37(20-24-43)38-21-25-44(26-22-38)68(60-53(65)33-40(62)34-54(60)66)46-28-30-58-50(36-46)48-16-8-10-18-56(48)70(58)42-13-5-2-6-14-42/h1-36H
• InChIKey: VUNHQXNCXZTKPR-UHFFFAOYSA-N
• XLogP: 17.32
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	926.96
LogP ≤ 5	17.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(2,4,6-trifluorophenyl)-N-[4-[4-(2,4,6-trifluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine?

The IUPAC name of 9-phenyl-N-(2,4,6-trifluorophenyl)-N-[4-[4-(2,4,6-trifluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine (CID 59844911) is 9-phenyl-N-(2,4,6-trifluorophenyl)-N-[4-[4-(2,4,6-trifluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine.

What is the SMILES notation for 9-phenyl-N-(2,4,6-trifluorophenyl)-N-[4-[4-(2,4,6-trifluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine?

The canonical SMILES for 9-phenyl-N-(2,4,6-trifluorophenyl)-N-[4-[4-(2,4,6-trifluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine is Fc1cc(F)c(N(c2ccc(-c3ccc(N(c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4c(F)cc(F)cc4F)cc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c(F)c1.

What is the InChIKey of 9-phenyl-N-(2,4,6-trifluorophenyl)-N-[4-[4-(2,4,6-trifluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine?

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

What are the key properties of 9-phenyl-N-(2,4,6-trifluorophenyl)-N-[4-[4-(2,4,6-trifluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine?

9-phenyl-N-(2,4,6-trifluorophenyl)-N-[4-[4-(2,4,6-trifluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine has a molecular weight of 926.96 g/mol, XLogP of 17.32, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-N-(2,4,6-trifluorophenyl)-N-[4-[4-(2,4,6-trifluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine is sourced from PubChem (CID 59844911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).