N-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[4-[4-(2,2,5-trimethylhexan-3-yl)phenyl]phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline

C67H64N2O — CID 146352245

About N-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[4-[4-(2,2,5-trimethylhexan-3-yl)phenyl]phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline

N-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[4-[4-(2,2,5-trimethylhexan-3-yl)phenyl]phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline (PubChem CID 146352245) has the molecular formula C67H64N2O and a molecular weight of 913.26 g/mol. Its IUPAC name is N-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[4-[4-(2,2,5-trimethylhexan-3-yl)phenyl]phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline.

Molecular Properties

• Compound Name: N-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[4-[4-(2,2,5-trimethylhexan-3-yl)phenyl]phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline
• PubChem CID: 146352245
• Molecular Formula: C67H64N2O
• Molecular Weight: 913.26 g/mol
• Exact Mass: 912.50
• IUPAC Name: N-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[4-[4-(2,2,5-trimethylhexan-3-yl)phenyl]phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline
• SMILES: CC(C)CC(c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5)ccc3n4-c3ccc(OC(C)(C)C)cc3)cc2)cc1)C(C)(C)C
• InChI: InChI=1S/C67H64N2O/c1-46(2)43-63(66(3,4)5)53-25-23-49(24-26-53)48-19-21-51(22-20-48)54-31-41-64-61(44-54)62-45-55(32-42-65(62)69(64)59-37-39-60(40-38-59)70-67(6,7)8)52-29-35-58(36-30-52)68(56-17-13-10-14-18-56)57-33-27-50(28-34-57)47-15-11-9-12-16-47/h9-42,44-46,63H,43H2,1-8H3
• InChIKey: KXZWEFCPKYHFRB-UHFFFAOYSA-N
• XLogP: 19.27
• TPSA: 17.40 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	913.26
LogP ≤ 5	19.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[4-[4-(2,2,5-trimethylhexan-3-yl)phenyl]phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline?

The IUPAC name of N-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[4-[4-(2,2,5-trimethylhexan-3-yl)phenyl]phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline (CID 146352245) is N-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[4-[4-(2,2,5-trimethylhexan-3-yl)phenyl]phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline.

What is the SMILES notation for N-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[4-[4-(2,2,5-trimethylhexan-3-yl)phenyl]phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline?

The canonical SMILES for N-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[4-[4-(2,2,5-trimethylhexan-3-yl)phenyl]phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline is CC(C)CC(c1ccc(-c2ccc(-c3ccc4c(c3)c3cc(-c5ccc(N(c6ccccc6)c6ccc(-c7ccccc7)cc6)cc5)ccc3n4-c3ccc(OC(C)(C)C)cc3)cc2)cc1)C(C)(C)C.

What is the InChIKey of N-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[4-[4-(2,2,5-trimethylhexan-3-yl)phenyl]phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline?

The InChIKey is KXZWEFCPKYHFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H64N2O/c1-46(2)43-63(66(3,4)5)53-25-23-49(24-26-53)48-19-21-51(22-20-48)54-31-41-64-61(44-54)62-45-55(32-42-65(62)69(64)59-37-39-60(40-38-59)70-67(6,7)8)52-29-35-58(36-30-52)68(56-17-13-10-14-18-56)57-33-27-50(28-34-57)47-15-11-9-12-16-47/h9-42,44-46,63H,43H2,1-8H3.

What are the key properties of N-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[4-[4-(2,2,5-trimethylhexan-3-yl)phenyl]phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline?

N-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[4-[4-(2,2,5-trimethylhexan-3-yl)phenyl]phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline has a molecular weight of 913.26 g/mol, XLogP of 19.27, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[9-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-[4-[4-(2,2,5-trimethylhexan-3-yl)phenyl]phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 146352245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).