N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine

C72H46N2O — CID 139544867

About N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine

N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine (PubChem CID 139544867) has the molecular formula C72H46N2O and a molecular weight of 955.17 g/mol. Its IUPAC name is N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine.

Molecular Properties

• Compound Name: N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine
• PubChem CID: 139544867
• Molecular Formula: C72H46N2O
• Molecular Weight: 955.17 g/mol
• Exact Mass: 954.36
• IUPAC Name: N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine
• SMILES: c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-c2ccc(N(c3ccc(-c4ccccc4-c4cccc5c4oc4ccccc45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c1
• InChI: InChI=1S/C72H46N2O/c1-3-20-54(61-26-9-13-32-68(61)74-69-33-14-10-27-62(69)63-28-11-15-34-70(63)74)52(18-1)47-36-40-49(41-37-47)73(51-44-45-60-58-24-6-5-22-56(58)57-23-7-8-25-59(57)67(60)46-51)50-42-38-48(39-43-50)53-19-2-4-21-55(53)65-30-17-31-66-64-29-12-16-35-71(64)75-72(65)66/h1-46H
• InChIKey: DZQXAENJLADLDT-UHFFFAOYSA-N
• XLogP: 20.28
• 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	955.17
LogP ≤ 5	20.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine?

The IUPAC name of N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine (CID 139544867) is N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine.

What is the SMILES notation for N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine?

The canonical SMILES for N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine is c1ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c(-c2ccc(N(c3ccc(-c4ccccc4-c4cccc5c4oc4ccccc45)cc3)c3ccc4c5ccccc5c5ccccc5c4c3)cc2)c1.

What is the InChIKey of N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine?

The InChIKey is DZQXAENJLADLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H46N2O/c1-3-20-54(61-26-9-13-32-68(61)74-69-33-14-10-27-62(69)63-28-11-15-34-70(63)74)52(18-1)47-36-40-49(41-37-47)73(51-44-45-60-58-24-6-5-22-56(58)57-23-7-8-25-59(57)67(60)46-51)50-42-38-48(39-43-50)53-19-2-4-21-55(53)65-30-17-31-66-64-29-12-16-35-71(64)75-72(65)66/h1-46H.

What are the key properties of N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine?

N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine has a molecular weight of 955.17 g/mol, XLogP of 20.28, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-dibenzofuran-4-ylphenyl)phenyl]triphenylen-2-amine is sourced from PubChem (CID 139544867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).