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

C70H64N2 — CID 170298069

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

2-(4-tert-butylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 170298069) has the molecular formula C70H64N2 and a molecular weight of 933.30 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
• PubChem CID: 170298069
• Molecular Formula: C70H64N2
• Molecular Weight: 933.30 g/mol
• Exact Mass: 932.51
• IUPAC Name: 2-(4-tert-butylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
• SMILES: CC(C)(C)c1ccc(-c2ccccc2N(c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)c2ccccc2-c2cccc3cccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c23)cc1
• InChI: InChI=1S/C70H64N2/c1-68(2,3)52-39-36-47(37-40-52)57-28-13-16-33-63(57)72(56-27-19-24-49(44-56)50-38-41-66-62(45-50)60-30-15-18-35-65(60)71(66)55-25-11-10-12-26-55)64-34-17-14-29-59(64)61-32-21-23-48-22-20-31-58(67(48)61)51-42-53(69(4,5)6)46-54(43-51)70(7,8)9/h10-46H,1-9H3
• InChIKey: HHGFBJNVIYAHCT-UHFFFAOYSA-N
• XLogP: 19.97
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	933.30
LogP ≤ 5	19.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 2-(4-tert-butylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 170298069) is 2-(4-tert-butylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline.

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

The canonical SMILES for 2-(4-tert-butylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline is CC(C)(C)c1ccc(-c2ccccc2N(c2cccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)c2ccccc2-c2cccc3cccc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c23)cc1.

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

The InChIKey is HHGFBJNVIYAHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H64N2/c1-68(2,3)52-39-36-47(37-40-52)57-28-13-16-33-63(57)72(56-27-19-24-49(44-56)50-38-41-66-62(45-50)60-30-15-18-35-65(60)71(66)55-25-11-10-12-26-55)64-34-17-14-29-59(64)61-32-21-23-48-22-20-31-58(67(48)61)51-42-53(69(4,5)6)46-54(43-51)70(7,8)9/h10-46H,1-9H3.

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

2-(4-tert-butylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline has a molecular weight of 933.30 g/mol, XLogP of 19.97, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenyl)-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 170298069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).