3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline

C60H58N2 — CID 170297982

About 3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline

3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline (PubChem CID 170297982) has the molecular formula C60H58N2 and a molecular weight of 807.14 g/mol. Its IUPAC name is 3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline
• PubChem CID: 170297982
• Molecular Formula: C60H58N2
• Molecular Weight: 807.14 g/mol
• Exact Mass: 806.46
• IUPAC Name: 3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline
• SMILES: CC(C)(C)c1cc(N(c2ccccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc(C(C)(C)C)c1
• InChI: InChI=1S/C60H58N2/c1-59(2,3)44-38-45(60(4,5)6)40-47(39-44)62(56-34-18-15-29-51(56)53-31-20-24-42-23-19-30-49(58(42)53)41-21-9-7-10-22-41)54-32-16-13-27-48(54)43-35-36-52-50-28-14-17-33-55(50)61(57(52)37-43)46-25-11-8-12-26-46/h8,11-20,23-41H,7,9-10,21-22H2,1-6H3
• InChIKey: AUNGSRRQHJDKOU-UHFFFAOYSA-N
• XLogP: 17.38
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	807.14
LogP ≤ 5	17.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline?

The IUPAC name of 3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline (CID 170297982) is 3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline.

What is the SMILES notation for 3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline?

The canonical SMILES for 3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline is CC(C)(C)c1cc(N(c2ccccc2-c2ccc3c4ccccc4n(-c4ccccc4)c3c2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)cc(C(C)(C)C)c1.

What is the InChIKey of 3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline?

The InChIKey is AUNGSRRQHJDKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H58N2/c1-59(2,3)44-38-45(60(4,5)6)40-47(39-44)62(56-34-18-15-29-51(56)53-31-20-24-42-23-19-30-49(58(42)53)41-21-9-7-10-22-41)54-32-16-13-27-48(54)43-35-36-52-50-28-14-17-33-55(50)61(57(52)37-43)46-25-11-8-12-26-46/h8,11-20,23-41H,7,9-10,21-22H2,1-6H3.

What are the key properties of 3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline?

3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline has a molecular weight of 807.14 g/mol, XLogP of 17.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-ditert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9-phenylcarbazol-2-yl)phenyl]aniline is sourced from PubChem (CID 170297982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).