N-(4-tert-butylphenyl)-3-carbazol-9-yl-N-methylaniline;3-carbazol-9-yl-N-methyl-N-(4-phenylphenyl)aniline;N-(3-carbazol-9-ylphenyl)-N-methyl-2-phenylaniline;N-(3-carbazol-9-ylphenyl)-N-methyl-3-phenylaniline

C122H100N8 — CID 158008301

About N-(4-tert-butylphenyl)-3-carbazol-9-yl-N-methylaniline;3-carbazol-9-yl-N-methyl-N-(4-phenylphenyl)aniline;N-(3-carbazol-9-ylphenyl)-N-methyl-2-phenylaniline;N-(3-carbazol-9-ylphenyl)-N-methyl-3-phenylaniline

N-(4-tert-butylphenyl)-3-carbazol-9-yl-N-methylaniline;3-carbazol-9-yl-N-methyl-N-(4-phenylphenyl)aniline;N-(3-carbazol-9-ylphenyl)-N-methyl-2-phenylaniline;N-(3-carbazol-9-ylphenyl)-N-methyl-3-phenylaniline (PubChem CID 158008301) has the molecular formula C122H100N8 and a molecular weight of 1678.20 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-3-carbazol-9-yl-N-methylaniline;3-carbazol-9-yl-N-methyl-N-(4-phenylphenyl)aniline;N-(3-carbazol-9-ylphenyl)-N-methyl-2-phenylaniline;N-(3-carbazol-9-ylphenyl)-N-methyl-3-phenylaniline.

Molecular Properties

• Compound Name: N-(4-tert-butylphenyl)-3-carbazol-9-yl-N-methylaniline;3-carbazol-9-yl-N-methyl-N-(4-phenylphenyl)aniline;N-(3-carbazol-9-ylphenyl)-N-methyl-2-phenylaniline;N-(3-carbazol-9-ylphenyl)-N-methyl-3-phenylaniline
• PubChem CID: 158008301
• Molecular Formula: C122H100N8
• Molecular Weight: 1678.20 g/mol
• Exact Mass: 1676.81
• IUPAC Name: N-(4-tert-butylphenyl)-3-carbazol-9-yl-N-methylaniline;3-carbazol-9-yl-N-methyl-N-(4-phenylphenyl)aniline;N-(3-carbazol-9-ylphenyl)-N-methyl-2-phenylaniline;N-(3-carbazol-9-ylphenyl)-N-methyl-3-phenylaniline
• SMILES: CN(c1ccc(-c2ccccc2)cc1)c1cccc(-n2c3ccccc3c3ccccc32)c1.CN(c1ccc(C(C)(C)C)cc1)c1cccc(-n2c3ccccc3c3ccccc32)c1.CN(c1cccc(-c2ccccc2)c1)c1cccc(-n2c3ccccc3c3ccccc32)c1.CN(c1cccc(-n2c3ccccc3c3ccccc32)c1)c1ccccc1-c1ccccc1
• InChI: InChI=1S/3C31H24N2.C29H28N2/c1-32(29-19-8-5-16-26(29)23-12-3-2-4-13-23)24-14-11-15-25(22-24)33-30-20-9-6-17-27(30)28-18-7-10-21-31(28)33;1-32(25-14-9-13-24(21-25)23-11-3-2-4-12-23)26-15-10-16-27(22-26)33-30-19-7-5-17-28(30)29-18-6-8-20-31(29)33;1-32(25-20-18-24(19-21-25)23-10-3-2-4-11-23)26-12-9-13-27(22-26)33-30-16-7-5-14-28(30)29-15-6-8-17-31(29)33;1-29(2,3)21-16-18-22(19-17-21)30(4)23-10-9-11-24(20-23)31-27-14-7-5-12-25(27)26-13-6-8-15-28(26)31/h3*2-22H,1H3;5-20H,1-4H3
• InChIKey: FEOMRTRWCVWXMU-UHFFFAOYSA-N
• XLogP: 32.50
• TPSA: 32.68 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1678.20
LogP ≤ 5	32.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-3-carbazol-9-yl-N-methylaniline;3-carbazol-9-yl-N-methyl-N-(4-phenylphenyl)aniline;N-(3-carbazol-9-ylphenyl)-N-methyl-2-phenylaniline;N-(3-carbazol-9-ylphenyl)-N-methyl-3-phenylaniline?

The IUPAC name of N-(4-tert-butylphenyl)-3-carbazol-9-yl-N-methylaniline;3-carbazol-9-yl-N-methyl-N-(4-phenylphenyl)aniline;N-(3-carbazol-9-ylphenyl)-N-methyl-2-phenylaniline;N-(3-carbazol-9-ylphenyl)-N-methyl-3-phenylaniline (CID 158008301) is N-(4-tert-butylphenyl)-3-carbazol-9-yl-N-methylaniline;3-carbazol-9-yl-N-methyl-N-(4-phenylphenyl)aniline;N-(3-carbazol-9-ylphenyl)-N-methyl-2-phenylaniline;N-(3-carbazol-9-ylphenyl)-N-methyl-3-phenylaniline.

What is the SMILES notation for N-(4-tert-butylphenyl)-3-carbazol-9-yl-N-methylaniline;3-carbazol-9-yl-N-methyl-N-(4-phenylphenyl)aniline;N-(3-carbazol-9-ylphenyl)-N-methyl-2-phenylaniline;N-(3-carbazol-9-ylphenyl)-N-methyl-3-phenylaniline?

The canonical SMILES for N-(4-tert-butylphenyl)-3-carbazol-9-yl-N-methylaniline;3-carbazol-9-yl-N-methyl-N-(4-phenylphenyl)aniline;N-(3-carbazol-9-ylphenyl)-N-methyl-2-phenylaniline;N-(3-carbazol-9-ylphenyl)-N-methyl-3-phenylaniline is CN(c1ccc(-c2ccccc2)cc1)c1cccc(-n2c3ccccc3c3ccccc32)c1.CN(c1ccc(C(C)(C)C)cc1)c1cccc(-n2c3ccccc3c3ccccc32)c1.CN(c1cccc(-c2ccccc2)c1)c1cccc(-n2c3ccccc3c3ccccc32)c1.CN(c1cccc(-n2c3ccccc3c3ccccc32)c1)c1ccccc1-c1ccccc1.

What is the InChIKey of N-(4-tert-butylphenyl)-3-carbazol-9-yl-N-methylaniline;3-carbazol-9-yl-N-methyl-N-(4-phenylphenyl)aniline;N-(3-carbazol-9-ylphenyl)-N-methyl-2-phenylaniline;N-(3-carbazol-9-ylphenyl)-N-methyl-3-phenylaniline?

The InChIKey is FEOMRTRWCVWXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C31H24N2.C29H28N2/c1-32(29-19-8-5-16-26(29)23-12-3-2-4-13-23)24-14-11-15-25(22-24)33-30-20-9-6-17-27(30)28-18-7-10-21-31(28)33;1-32(25-14-9-13-24(21-25)23-11-3-2-4-12-23)26-15-10-16-27(22-26)33-30-19-7-5-17-28(30)29-18-6-8-20-31(29)33;1-32(25-20-18-24(19-21-25)23-10-3-2-4-11-23)26-12-9-13-27(22-26)33-30-16-7-5-14-28(30)29-15-6-8-17-31(29)33;1-29(2,3)21-16-18-22(19-17-21)30(4)23-10-9-11-24(20-23)31-27-14-7-5-12-25(27)26-13-6-8-15-28(26)31/h3*2-22H,1H3;5-20H,1-4H3.

What are the key properties of N-(4-tert-butylphenyl)-3-carbazol-9-yl-N-methylaniline;3-carbazol-9-yl-N-methyl-N-(4-phenylphenyl)aniline;N-(3-carbazol-9-ylphenyl)-N-methyl-2-phenylaniline;N-(3-carbazol-9-ylphenyl)-N-methyl-3-phenylaniline?

N-(4-tert-butylphenyl)-3-carbazol-9-yl-N-methylaniline;3-carbazol-9-yl-N-methyl-N-(4-phenylphenyl)aniline;N-(3-carbazol-9-ylphenyl)-N-methyl-2-phenylaniline;N-(3-carbazol-9-ylphenyl)-N-methyl-3-phenylaniline has a molecular weight of 1678.20 g/mol, XLogP of 32.50, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butylphenyl)-3-carbazol-9-yl-N-methylaniline;3-carbazol-9-yl-N-methyl-N-(4-phenylphenyl)aniline;N-(3-carbazol-9-ylphenyl)-N-methyl-2-phenylaniline;N-(3-carbazol-9-ylphenyl)-N-methyl-3-phenylaniline is sourced from PubChem (CID 158008301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).