N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-9-ylaniline

C68H44N2O — CID 155649226

About N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-9-ylaniline

N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-9-ylaniline (PubChem CID 155649226) has the molecular formula C68H44N2O and a molecular weight of 905.11 g/mol. Its IUPAC name is N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-9-ylaniline.

Molecular Properties

• Compound Name: N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-9-ylaniline
• PubChem CID: 155649226
• Molecular Formula: C68H44N2O
• Molecular Weight: 905.11 g/mol
• Exact Mass: 904.35
• IUPAC Name: N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-9-ylaniline
• SMILES: c1cc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccccc4-c4cc5ccccc5c5ccccc45)cc3)cc2)cc(-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C68H44N2O/c1-2-18-54-50(15-1)44-62(57-20-4-3-19-56(54)57)60-23-7-9-26-63(60)69(52-41-37-48(38-42-52)55-25-14-30-67-68(55)61-24-8-12-29-66(61)71-67)51-39-35-46(36-40-51)45-31-33-47(34-32-45)49-16-13-17-53(43-49)70-64-27-10-5-21-58(64)59-22-6-11-28-65(59)70/h1-44H
• InChIKey: RJPVIPRBCJEVME-UHFFFAOYSA-N
• XLogP: 19.13
• TPSA: 21.31 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	905.11
LogP ≤ 5	19.13
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-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-9-ylaniline?

The IUPAC name of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-9-ylaniline (CID 155649226) is N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-9-ylaniline.

What is the SMILES notation for N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-9-ylaniline?

The canonical SMILES for N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-9-ylaniline is c1cc(-c2ccc(-c3ccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccccc4-c4cc5ccccc5c5ccccc45)cc3)cc2)cc(-n2c3ccccc3c3ccccc32)c1.

What is the InChIKey of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-9-ylaniline?

The InChIKey is RJPVIPRBCJEVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N2O/c1-2-18-54-50(15-1)44-62(57-20-4-3-19-56(54)57)60-23-7-9-26-63(60)69(52-41-37-48(38-42-52)55-25-14-30-67-68(55)61-24-8-12-29-66(61)71-67)51-39-35-46(36-40-51)45-31-33-47(34-32-45)49-16-13-17-53(43-49)70-64-27-10-5-21-58(64)59-22-6-11-28-65(59)70/h1-44H.

What are the key properties of N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-9-ylaniline?

N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-9-ylaniline has a molecular weight of 905.11 g/mol, XLogP of 19.13, 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-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-1-ylphenyl)-2-phenanthren-9-ylaniline is sourced from PubChem (CID 155649226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).