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

C72H58N2O — CID 170299811

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

2-dibenzofuran-2-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline (PubChem CID 170299811) has the molecular formula C72H58N2O and a molecular weight of 967.27 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 2-dibenzofuran-2-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline
• PubChem CID: 170299811
• Molecular Formula: C72H58N2O
• Molecular Weight: 967.27 g/mol
• Exact Mass: 966.45
• IUPAC Name: 2-dibenzofuran-2-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline
• SMILES: CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)c4ccccc4-c4ccc5oc6ccccc6c5c4)c23)cc(C(C)(C)C)c1
• InChI: InChI=1S/C72H58N2O/c1-71(2,3)51-43-50(44-52(46-51)72(4,5)6)57-29-18-21-48-22-19-31-60(69(48)57)58-26-11-15-33-64(58)73(63-32-14-10-25-55(63)49-39-42-68-62(45-49)59-27-13-17-36-67(59)75-68)54-40-37-47(38-41-54)56-30-20-35-66-70(56)61-28-12-16-34-65(61)74(66)53-23-8-7-9-24-53/h7-46H,1-6H3
• InChIKey: CGLQACKCVRWHSZ-UHFFFAOYSA-N
• XLogP: 20.57
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	967.27
LogP ≤ 5	20.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-dibenzofuran-2-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline (CID 170299811) is 2-dibenzofuran-2-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline.

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

The canonical SMILES for 2-dibenzofuran-2-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5cccc6c5c5ccccc5n6-c5ccccc5)cc4)c4ccccc4-c4ccc5oc6ccccc6c5c4)c23)cc(C(C)(C)C)c1.

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

The InChIKey is CGLQACKCVRWHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H58N2O/c1-71(2,3)51-43-50(44-52(46-51)72(4,5)6)57-29-18-21-48-22-19-31-60(69(48)57)58-26-11-15-33-64(58)73(63-32-14-10-25-55(63)49-39-42-68-62(45-49)59-27-13-17-36-67(59)75-68)54-40-37-47(38-41-54)56-30-20-35-66-70(56)61-28-12-16-34-65(61)74(66)53-23-8-7-9-24-53/h7-46H,1-6H3.

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

2-dibenzofuran-2-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline has a molecular weight of 967.27 g/mol, XLogP of 20.57, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-2-yl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline is sourced from PubChem (CID 170299811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).