N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline

C177H116N10OS — CID 159260464

About N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline

N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline (PubChem CID 159260464) has the molecular formula C177H116N10OS and a molecular weight of 2431.01 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline
• PubChem CID: 159260464
• Molecular Formula: C177H116N10OS
• Molecular Weight: 2431.01 g/mol
• Exact Mass: 2428.91
• IUPAC Name: N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline
• SMILES: c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccccc4)cc3)cc2)cc1
• InChI: InChI=1S/C63H42N4.C57H37N3O.C57H37N3S/c1-4-16-43(17-5-1)44-28-35-50(36-29-44)65(51-37-30-45(31-38-51)47-34-41-60-58(42-47)55-24-14-15-27-59(55)66(60)48-18-6-2-7-19-48)52-39-32-46(33-40-52)63-64-61-56-25-12-10-22-53(56)54-23-11-13-26-57(54)62(61)67(63)49-20-8-3-9-21-49;1-3-13-38(14-4-1)39-23-30-44(31-24-39)59(45-32-25-40(26-33-45)42-29-36-50-49-19-11-12-22-53(49)61-54(50)37-42)46-34-27-41(28-35-46)57-58-55-51-20-9-7-17-47(51)48-18-8-10-21-52(48)56(55)60(57)43-15-5-2-6-16-43;1-3-13-38(14-4-1)39-23-30-44(31-24-39)59(45-32-25-40(26-33-45)42-29-36-54-52(37-42)49-19-11-12-22-53(49)61-54)46-34-27-41(28-35-46)57-58-55-50-20-9-7-17-47(50)48-18-8-10-21-51(48)56(55)60(57)43-15-5-2-6-16-43/h1-42H;2*1-37H
• InChIKey: KWLCJMFKUZXHDY-UHFFFAOYSA-N
• XLogP: 48.77
• TPSA: 81.25 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2431.01
LogP ≤ 5	48.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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-dibenzofuran-3-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline?

The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline (CID 159260464) is N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline.

What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline?

The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c3ccc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3ccc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccccc4)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc(-c4nc5c6ccccc6c6ccccc6c5n4-c4ccccc4)cc3)cc2)cc1.

What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline?

The InChIKey is KWLCJMFKUZXHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N4.C57H37N3O.C57H37N3S/c1-4-16-43(17-5-1)44-28-35-50(36-29-44)65(51-37-30-45(31-38-51)47-34-41-60-58(42-47)55-24-14-15-27-59(55)66(60)48-18-6-2-7-19-48)52-39-32-46(33-40-52)63-64-61-56-25-12-10-22-53(56)54-23-11-13-26-57(54)62(61)67(63)49-20-8-3-9-21-49;1-3-13-38(14-4-1)39-23-30-44(31-24-39)59(45-32-25-40(26-33-45)42-29-36-50-49-19-11-12-22-53(49)61-54(50)37-42)46-34-27-41(28-35-46)57-58-55-51-20-9-7-17-47(51)48-18-8-10-21-52(48)56(55)60(57)43-15-5-2-6-16-43;1-3-13-38(14-4-1)39-23-30-44(31-24-39)59(45-32-25-40(26-33-45)42-29-36-54-52(37-42)49-19-11-12-22-53(49)61-54)46-34-27-41(28-35-46)57-58-55-50-20-9-7-17-47(50)48-18-8-10-21-51(48)56(55)60(57)43-15-5-2-6-16-43/h1-42H;2*1-37H.

What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline?

N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline has a molecular weight of 2431.01 g/mol, XLogP of 48.77, 22 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenanthro[9,10-d]imidazol-2-yl)phenyl]aniline is sourced from PubChem (CID 159260464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).