N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine

C72H46N2O — CID 89492312

About N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine

N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine (PubChem CID 89492312) has the molecular formula C72H46N2O and a molecular weight of 955.17 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine.

Molecular Properties

• Compound Name: N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
• PubChem CID: 89492312
• Molecular Formula: C72H46N2O
• Molecular Weight: 955.17 g/mol
• Exact Mass: 954.36
• IUPAC Name: N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)c3cccc4oc5ccccc5c34)cc2)cc1
• InChI: InChI=1S/C72H46N2O/c1-3-14-47(15-4-1)49-26-35-55(36-27-49)73(69-23-13-25-71-72(69)63-22-11-12-24-70(63)75-71)56-37-28-51(29-38-56)54-34-43-68-66(46-54)65-45-53(48-16-5-2-6-17-48)33-42-67(65)74(68)57-39-30-50(31-40-57)52-32-41-62-60-20-8-7-18-58(60)59-19-9-10-21-61(59)64(62)44-52/h1-46H
• InChIKey: BWRYRTWMZPYJJV-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-phenylphenyl)-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine?

The IUPAC name of N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine (CID 89492312) is N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine.

What is the SMILES notation for N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine?

The canonical SMILES for N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc(-c5ccc6c7ccccc7c7ccccc7c6c5)cc4)cc3)c3cccc4oc5ccccc5c34)cc2)cc1.

What is the InChIKey of N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine?

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

What are the key properties of N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine?

N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-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-phenylphenyl)-N-[4-[6-phenyl-9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 89492312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).