9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole;9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole

C94H58F12N6 — CID 158761736

About 9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole;9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole

9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole;9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole (PubChem CID 158761736) has the molecular formula C94H58F12N6 and a molecular weight of 1499.52 g/mol. Its IUPAC name is 9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole;9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole.

Molecular Properties

• Compound Name: 9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole;9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole
• PubChem CID: 158761736
• Molecular Formula: C94H58F12N6
• Molecular Weight: 1499.52 g/mol
• Exact Mass: 1498.45
• IUPAC Name: 9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole;9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole
• SMILES: [C-]#[N+]c1ccc(-c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2-n2c3ccccc3c3ccc(C)cc32)c(-n2c3ccccc3c3ccc(C)cc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3ccc(C)cc32)c(-c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2-n2c3ccccc3c3ccc(C)cc32)c1
• InChI: InChI=1S/2C47H29F6N3/c1-27-12-16-36-34-8-4-6-10-40(34)55(43(36)20-27)42-19-15-33(54-3)26-39(42)38-18-14-29(30-22-31(46(48,49)50)25-32(23-30)47(51,52)53)24-45(38)56-41-11-7-5-9-35(41)37-17-13-28(2)21-44(37)56;1-27-12-16-36-34-8-4-6-10-40(34)55(42(36)20-27)44-24-29(30-22-31(46(48,49)50)25-32(23-30)47(51,52)53)14-18-38(44)39-19-15-33(54-3)26-45(39)56-41-11-7-5-9-35(41)37-17-13-28(2)21-43(37)56/h2*4-26H,1-2H3
• InChIKey: IOTKPIPCJUODMK-UHFFFAOYSA-N
• XLogP: 28.84
• TPSA: 28.44 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1499.52
LogP ≤ 5	28.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole;9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole?

The IUPAC name of 9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole;9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole (CID 158761736) is 9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole;9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole.

What is the SMILES notation for 9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole;9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole?

The canonical SMILES for 9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole;9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole is [C-]#[N+]c1ccc(-c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2-n2c3ccccc3c3ccc(C)cc32)c(-n2c3ccccc3c3ccc(C)cc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3ccc(C)cc32)c(-c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2-n2c3ccccc3c3ccc(C)cc32)c1.

What is the InChIKey of 9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole;9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole?

The InChIKey is IOTKPIPCJUODMK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C47H29F6N3/c1-27-12-16-36-34-8-4-6-10-40(34)55(43(36)20-27)42-19-15-33(54-3)26-39(42)38-18-14-29(30-22-31(46(48,49)50)25-32(23-30)47(51,52)53)24-45(38)56-41-11-7-5-9-35(41)37-17-13-28(2)21-44(37)56;1-27-12-16-36-34-8-4-6-10-40(34)55(42(36)20-27)44-24-29(30-22-31(46(48,49)50)25-32(23-30)47(51,52)53)14-18-38(44)39-19-15-33(54-3)26-45(39)56-41-11-7-5-9-35(41)37-17-13-28(2)21-43(37)56/h2*4-26H,1-2H3.

What are the key properties of 9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole;9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole?

9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole;9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole has a molecular weight of 1499.52 g/mol, XLogP of 28.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole;9-[5-[3,5-bis(trifluoromethyl)phenyl]-2-[5-isocyano-2-(2-methylcarbazol-9-yl)phenyl]phenyl]-2-methylcarbazole is sourced from PubChem (CID 158761736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).