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

C75H64N2 — CID 170304124

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

2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline (PubChem CID 170304124) has the molecular formula C75H64N2 and a molecular weight of 993.35 g/mol. Its IUPAC name is 2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
• PubChem CID: 170304124
• Molecular Formula: C75H64N2
• Molecular Weight: 993.35 g/mol
• Exact Mass: 992.51
• IUPAC Name: 2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
• SMILES: CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)c4cccc(-c5cccc6c5C(C)(C)c5ccccc5-6)c4)c23)cc(C(C)(C)C)c1
• InChI: InChI=1S/C75H64N2/c1-73(2,3)54-44-53(45-55(48-54)74(4,5)6)59-31-19-22-50-23-20-33-65(71(50)59)63-30-14-16-36-68(63)76(58-27-18-24-52(46-58)60-32-21-34-66-61-28-12-15-35-67(61)75(7,8)72(60)66)57-41-38-49(39-42-57)51-40-43-64-62-29-13-17-37-69(62)77(70(64)47-51)56-25-10-9-11-26-56/h9-48H,1-8H3
• InChIKey: CGTRZEWEPHKTNY-UHFFFAOYSA-N
• XLogP: 20.98
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	993.35
LogP ≤ 5	20.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline (CID 170304124) is 2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline.

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

The canonical SMILES for 2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc4)c4cccc(-c5cccc6c5C(C)(C)c5ccccc5-6)c4)c23)cc(C(C)(C)C)c1.

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

The InChIKey is CGTRZEWEPHKTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H64N2/c1-73(2,3)54-44-53(45-55(48-54)74(4,5)6)59-31-19-22-50-23-20-33-65(71(50)59)63-30-14-16-36-68(63)76(58-27-18-24-52(46-58)60-32-21-34-66-61-28-12-15-35-67(61)75(7,8)72(60)66)57-41-38-49(39-42-57)51-40-43-64-62-29-13-17-37-69(62)77(70(64)47-51)56-25-10-9-11-26-56/h9-48H,1-8H3.

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

2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline has a molecular weight of 993.35 g/mol, XLogP of 20.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline is sourced from PubChem (CID 170304124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).