N-tert-butyl-N,2-diphenylaniline;N-tert-butyl-4-naphthalen-1-yl-N-phenylaniline;N-tert-butyl-4-naphthalen-2-yl-N-phenylaniline;N-tert-butyl-3-phenyl-N-(3-phenylphenyl)aniline;N-naphthalen-1-yl-N-propan-2-ylnaphthalen-1-amine

C125H121N5 — CID 159661988

About N-tert-butyl-N,2-diphenylaniline;N-tert-butyl-4-naphthalen-1-yl-N-phenylaniline;N-tert-butyl-4-naphthalen-2-yl-N-phenylaniline;N-tert-butyl-3-phenyl-N-(3-phenylphenyl)aniline;N-naphthalen-1-yl-N-propan-2-ylnaphthalen-1-amine

N-tert-butyl-N,2-diphenylaniline;N-tert-butyl-4-naphthalen-1-yl-N-phenylaniline;N-tert-butyl-4-naphthalen-2-yl-N-phenylaniline;N-tert-butyl-3-phenyl-N-(3-phenylphenyl)aniline;N-naphthalen-1-yl-N-propan-2-ylnaphthalen-1-amine (PubChem CID 159661988) has the molecular formula C125H121N5 and a molecular weight of 1693.38 g/mol. Its IUPAC name is N-tert-butyl-N,2-diphenylaniline;N-tert-butyl-4-naphthalen-1-yl-N-phenylaniline;N-tert-butyl-4-naphthalen-2-yl-N-phenylaniline;N-tert-butyl-3-phenyl-N-(3-phenylphenyl)aniline;N-naphthalen-1-yl-N-propan-2-ylnaphthalen-1-amine.

Molecular Properties

• Compound Name: N-tert-butyl-N,2-diphenylaniline;N-tert-butyl-4-naphthalen-1-yl-N-phenylaniline;N-tert-butyl-4-naphthalen-2-yl-N-phenylaniline;N-tert-butyl-3-phenyl-N-(3-phenylphenyl)aniline;N-naphthalen-1-yl-N-propan-2-ylnaphthalen-1-amine
• PubChem CID: 159661988
• Molecular Formula: C125H121N5
• Molecular Weight: 1693.38 g/mol
• Exact Mass: 1691.96
• IUPAC Name: N-tert-butyl-N,2-diphenylaniline;N-tert-butyl-4-naphthalen-1-yl-N-phenylaniline;N-tert-butyl-4-naphthalen-2-yl-N-phenylaniline;N-tert-butyl-3-phenyl-N-(3-phenylphenyl)aniline;N-naphthalen-1-yl-N-propan-2-ylnaphthalen-1-amine
• SMILES: CC(C)(C)N(c1cccc(-c2ccccc2)c1)c1cccc(-c2ccccc2)c1.CC(C)(C)N(c1ccccc1)c1ccc(-c2ccc3ccccc3c2)cc1.CC(C)(C)N(c1ccccc1)c1ccc(-c2cccc3ccccc23)cc1.CC(C)(C)N(c1ccccc1)c1ccccc1-c1ccccc1.CC(C)N(c1cccc2ccccc12)c1cccc2ccccc12
• InChI: InChI=1S/C28H27N.2C26H25N.C23H21N.C22H23N/c1-28(2,3)29(26-18-10-16-24(20-26)22-12-6-4-7-13-22)27-19-11-17-25(21-27)23-14-8-5-9-15-23;1-26(2,3)27(22-12-5-4-6-13-22)23-18-16-21(17-19-23)25-15-9-11-20-10-7-8-14-24(20)25;1-26(2,3)27(24-11-5-4-6-12-24)25-17-15-21(16-18-25)23-14-13-20-9-7-8-10-22(20)19-23;1-17(2)24(22-15-7-11-18-9-3-5-13-20(18)22)23-16-8-12-19-10-4-6-14-21(19)23;1-22(2,3)23(19-14-8-5-9-15-19)21-17-11-10-16-20(21)18-12-6-4-7-13-18/h4-21H,1-3H3;2*4-19H,1-3H3;3-17H,1-2H3;4-17H,1-3H3
• InChIKey: MSXSPLIEEWKCJX-UHFFFAOYSA-N
• XLogP: 35.67
• TPSA: 16.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1693.38
LogP ≤ 5	35.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N,2-diphenylaniline;N-tert-butyl-4-naphthalen-1-yl-N-phenylaniline;N-tert-butyl-4-naphthalen-2-yl-N-phenylaniline;N-tert-butyl-3-phenyl-N-(3-phenylphenyl)aniline;N-naphthalen-1-yl-N-propan-2-ylnaphthalen-1-amine?

The IUPAC name of N-tert-butyl-N,2-diphenylaniline;N-tert-butyl-4-naphthalen-1-yl-N-phenylaniline;N-tert-butyl-4-naphthalen-2-yl-N-phenylaniline;N-tert-butyl-3-phenyl-N-(3-phenylphenyl)aniline;N-naphthalen-1-yl-N-propan-2-ylnaphthalen-1-amine (CID 159661988) is N-tert-butyl-N,2-diphenylaniline;N-tert-butyl-4-naphthalen-1-yl-N-phenylaniline;N-tert-butyl-4-naphthalen-2-yl-N-phenylaniline;N-tert-butyl-3-phenyl-N-(3-phenylphenyl)aniline;N-naphthalen-1-yl-N-propan-2-ylnaphthalen-1-amine.

What is the SMILES notation for N-tert-butyl-N,2-diphenylaniline;N-tert-butyl-4-naphthalen-1-yl-N-phenylaniline;N-tert-butyl-4-naphthalen-2-yl-N-phenylaniline;N-tert-butyl-3-phenyl-N-(3-phenylphenyl)aniline;N-naphthalen-1-yl-N-propan-2-ylnaphthalen-1-amine?

The canonical SMILES for N-tert-butyl-N,2-diphenylaniline;N-tert-butyl-4-naphthalen-1-yl-N-phenylaniline;N-tert-butyl-4-naphthalen-2-yl-N-phenylaniline;N-tert-butyl-3-phenyl-N-(3-phenylphenyl)aniline;N-naphthalen-1-yl-N-propan-2-ylnaphthalen-1-amine is CC(C)(C)N(c1cccc(-c2ccccc2)c1)c1cccc(-c2ccccc2)c1.CC(C)(C)N(c1ccccc1)c1ccc(-c2ccc3ccccc3c2)cc1.CC(C)(C)N(c1ccccc1)c1ccc(-c2cccc3ccccc23)cc1.CC(C)(C)N(c1ccccc1)c1ccccc1-c1ccccc1.CC(C)N(c1cccc2ccccc12)c1cccc2ccccc12.

What is the InChIKey of N-tert-butyl-N,2-diphenylaniline;N-tert-butyl-4-naphthalen-1-yl-N-phenylaniline;N-tert-butyl-4-naphthalen-2-yl-N-phenylaniline;N-tert-butyl-3-phenyl-N-(3-phenylphenyl)aniline;N-naphthalen-1-yl-N-propan-2-ylnaphthalen-1-amine?

The InChIKey is MSXSPLIEEWKCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N.2C26H25N.C23H21N.C22H23N/c1-28(2,3)29(26-18-10-16-24(20-26)22-12-6-4-7-13-22)27-19-11-17-25(21-27)23-14-8-5-9-15-23;1-26(2,3)27(22-12-5-4-6-13-22)23-18-16-21(17-19-23)25-15-9-11-20-10-7-8-14-24(20)25;1-26(2,3)27(24-11-5-4-6-12-24)25-17-15-21(16-18-25)23-14-13-20-9-7-8-10-22(20)19-23;1-17(2)24(22-15-7-11-18-9-3-5-13-20(18)22)23-16-8-12-19-10-4-6-14-21(19)23;1-22(2,3)23(19-14-8-5-9-15-19)21-17-11-10-16-20(21)18-12-6-4-7-13-18/h4-21H,1-3H3;2*4-19H,1-3H3;3-17H,1-2H3;4-17H,1-3H3.

What are the key properties of N-tert-butyl-N,2-diphenylaniline;N-tert-butyl-4-naphthalen-1-yl-N-phenylaniline;N-tert-butyl-4-naphthalen-2-yl-N-phenylaniline;N-tert-butyl-3-phenyl-N-(3-phenylphenyl)aniline;N-naphthalen-1-yl-N-propan-2-ylnaphthalen-1-amine?

N-tert-butyl-N,2-diphenylaniline;N-tert-butyl-4-naphthalen-1-yl-N-phenylaniline;N-tert-butyl-4-naphthalen-2-yl-N-phenylaniline;N-tert-butyl-3-phenyl-N-(3-phenylphenyl)aniline;N-naphthalen-1-yl-N-propan-2-ylnaphthalen-1-amine has a molecular weight of 1693.38 g/mol, XLogP of 35.67, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-N,2-diphenylaniline;N-tert-butyl-4-naphthalen-1-yl-N-phenylaniline;N-tert-butyl-4-naphthalen-2-yl-N-phenylaniline;N-tert-butyl-3-phenyl-N-(3-phenylphenyl)aniline;N-naphthalen-1-yl-N-propan-2-ylnaphthalen-1-amine is sourced from PubChem (CID 159661988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).