N-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine

C64H42N2O — CID 121443649

About N-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine

N-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 121443649) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is N-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

• Compound Name: N-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
• PubChem CID: 121443649
• Molecular Formula: C64H42N2O
• Molecular Weight: 855.05 g/mol
• Exact Mass: 854.33
• IUPAC Name: N-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
• SMILES: c1ccc(N(c2ccc(-c3ccc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-c5cccc6c5oc5ccccc56)c4)cc3)cc2)c2ccc3ccccc3c2)cc1
• InChI: InChI=1S/C64H42N2O/c1-3-16-52(17-4-1)65(55-36-32-43-14-7-8-15-47(43)41-55)54-34-30-45(31-35-54)44-26-28-46(29-27-44)49-38-50(40-51(39-49)56-22-13-23-59-58-21-10-12-25-63(58)67-64(56)59)48-33-37-62-60(42-48)57-20-9-11-24-61(57)66(62)53-18-5-2-6-19-53/h1-42H
• InChIKey: XLWKZPUKBWQOSO-UHFFFAOYSA-N
• XLogP: 17.97
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.05
LogP ≤ 5	17.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?

The IUPAC name of N-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine (CID 121443649) is N-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine.

What is the SMILES notation for N-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?

The canonical SMILES for N-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine is c1ccc(N(c2ccc(-c3ccc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc(-c5cccc6c5oc5ccccc56)c4)cc3)cc2)c2ccc3ccccc3c2)cc1.

What is the InChIKey of N-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?

The InChIKey is XLWKZPUKBWQOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-3-16-52(17-4-1)65(55-36-32-43-14-7-8-15-47(43)41-55)54-34-30-45(31-35-54)44-26-28-46(29-27-44)49-38-50(40-51(39-49)56-22-13-23-59-58-21-10-12-25-63(58)67-64(56)59)48-33-37-62-60(42-48)57-20-9-11-24-61(57)66(62)53-18-5-2-6-19-53/h1-42H.

What are the key properties of N-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine?

N-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 855.05 g/mol, XLogP of 17.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-[3-dibenzofuran-4-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 121443649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).