4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline

C62H54N2 — CID 170297632

About 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline

4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 170297632) has the molecular formula C62H54N2 and a molecular weight of 827.13 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
• PubChem CID: 170297632
• Molecular Formula: C62H54N2
• Molecular Weight: 827.13 g/mol
• Exact Mass: 826.43
• IUPAC Name: 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
• SMILES: CC(C)(C)c1ccc(N(c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c(-c2ccccc2)c1
• InChI: InChI=1S/C62H54N2/c1-62(2,3)48-37-39-59(55(42-48)44-22-9-5-10-23-44)64(57-34-15-13-30-52(57)54-33-19-25-45-24-18-32-51(61(45)54)43-20-7-4-8-21-43)50-29-17-26-46(40-50)47-36-38-60-56(41-47)53-31-14-16-35-58(53)63(60)49-27-11-6-12-28-49/h5-6,9-19,22-43H,4,7-8,20-21H2,1-3H3
• InChIKey: TXCAKSUAQLQBJC-UHFFFAOYSA-N
• XLogP: 17.75
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	827.13
LogP ≤ 5	17.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline?

The IUPAC name of 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 170297632) is 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline.

What is the SMILES notation for 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline?

The canonical SMILES for 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline is CC(C)(C)c1ccc(N(c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)c2ccccc2-c2cccc3cccc(C4CCCCC4)c23)c(-c2ccccc2)c1.

What is the InChIKey of 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline?

The InChIKey is TXCAKSUAQLQBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H54N2/c1-62(2,3)48-37-39-59(55(42-48)44-22-9-5-10-23-44)64(57-34-15-13-30-52(57)54-33-19-25-45-24-18-32-51(61(45)54)43-20-7-4-8-21-43)50-29-17-26-46(40-50)47-36-38-60-56(41-47)53-31-14-16-35-58(53)63(60)49-27-11-6-12-28-49/h5-6,9-19,22-43H,4,7-8,20-21H2,1-3H3.

What are the key properties of 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline?

4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline has a molecular weight of 827.13 g/mol, XLogP of 17.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-2-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 170297632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).