N-(4-tert-butylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline

C64H60N2 — CID 170298373

About N-(4-tert-butylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline

N-(4-tert-butylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline (PubChem CID 170298373) has the molecular formula C64H60N2 and a molecular weight of 857.20 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline.

Molecular Properties

• Compound Name: N-(4-tert-butylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
• PubChem CID: 170298373
• Molecular Formula: C64H60N2
• Molecular Weight: 857.20 g/mol
• Exact Mass: 856.48
• IUPAC Name: N-(4-tert-butylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
• SMILES: CC(C)(C)c1ccc(N(c2cccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c2)c2ccccc2-c2cccc3cccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c23)cc1
• InChI: InChI=1S/C64H60N2/c1-62(2,3)46-35-37-50(38-36-46)65(51-26-17-23-44(41-51)52-30-20-34-59-61(52)56-28-14-16-33-58(56)66(59)49-24-11-10-12-25-49)57-32-15-13-27-54(57)55-31-19-22-43-21-18-29-53(60(43)55)45-39-47(63(4,5)6)42-48(40-45)64(7,8)9/h10-42H,1-9H3
• InChIKey: NHMWQODQAVZYOS-UHFFFAOYSA-N
• XLogP: 18.30
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.20
LogP ≤ 5	18.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline?

The IUPAC name of N-(4-tert-butylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline (CID 170298373) is N-(4-tert-butylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline.

What is the SMILES notation for N-(4-tert-butylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline?

The canonical SMILES for N-(4-tert-butylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline is CC(C)(C)c1ccc(N(c2cccc(-c3cccc4c3c3ccccc3n4-c3ccccc3)c2)c2ccccc2-c2cccc3cccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c23)cc1.

What is the InChIKey of N-(4-tert-butylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline?

The InChIKey is NHMWQODQAVZYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H60N2/c1-62(2,3)46-35-37-50(38-36-46)65(51-26-17-23-44(41-51)52-30-20-34-59-61(52)56-28-14-16-33-58(56)66(59)49-24-11-10-12-25-49)57-32-15-13-27-54(57)55-31-19-22-43-21-18-29-53(60(43)55)45-39-47(63(4,5)6)42-48(40-45)64(7,8)9/h10-42H,1-9H3.

What are the key properties of N-(4-tert-butylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline?

N-(4-tert-butylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline has a molecular weight of 857.20 g/mol, XLogP of 18.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline is sourced from PubChem (CID 170298373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).