N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;8-iodo-6-phenylnaphtho[2,1-b][1]benzofuran

C116H77IN4O2 — CID 160950142

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;8-iodo-6-phenylnaphtho[2,1-b][1]benzofuran

N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;8-iodo-6-phenylnaphtho[2,1-b][1]benzofuran (PubChem CID 160950142) has the molecular formula C116H77IN4O2 and a molecular weight of 1685.82 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;8-iodo-6-phenylnaphtho[2,1-b][1]benzofuran.

Molecular Properties

• Compound Name: N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;8-iodo-6-phenylnaphtho[2,1-b][1]benzofuran
• PubChem CID: 160950142
• Molecular Formula: C116H77IN4O2
• Molecular Weight: 1685.82 g/mol
• Exact Mass: 1684.51
• IUPAC Name: N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;8-iodo-6-phenylnaphtho[2,1-b][1]benzofuran
• SMILES: Ic1cccc2c1oc1c(-c3ccccc3)cc3ccccc3c12.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3cccc4c3oc3c(-c5ccccc5)cc5ccccc5c34)cc2)cc1.c1ccc(-c2ccc(Nc3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C58H38N2O.C36H26N2.C22H13IO/c1-3-14-39(15-4-1)40-26-32-45(33-27-40)59(55-25-13-22-51-56-48-19-8-7-18-44(48)38-52(58(56)61-57(51)55)43-16-5-2-6-17-43)46-34-28-41(29-35-46)42-30-36-47(37-31-42)60-53-23-11-9-20-49(53)50-21-10-12-24-54(50)60;1-2-8-26(9-3-1)27-14-20-30(21-15-27)37-31-22-16-28(17-23-31)29-18-24-32(25-19-29)38-35-12-6-4-10-33(35)34-11-5-7-13-36(34)38;23-19-12-6-11-17-20-16-10-5-4-9-15(16)13-18(22(20)24-21(17)19)14-7-2-1-3-8-14/h1-38H;1-25,37H;1-13H
• InChIKey: SVQMIRDESDQFBE-UHFFFAOYSA-N
• XLogP: 33.18
• TPSA: 51.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1685.82
LogP ≤ 5	33.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;8-iodo-6-phenylnaphtho[2,1-b][1]benzofuran?

The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;8-iodo-6-phenylnaphtho[2,1-b][1]benzofuran (CID 160950142) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;8-iodo-6-phenylnaphtho[2,1-b][1]benzofuran.

What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;8-iodo-6-phenylnaphtho[2,1-b][1]benzofuran?

The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;8-iodo-6-phenylnaphtho[2,1-b][1]benzofuran is Ic1cccc2c1oc1c(-c3ccccc3)cc3ccccc3c12.c1ccc(-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)c3cccc4c3oc3c(-c5ccccc5)cc5ccccc5c34)cc2)cc1.c1ccc(-c2ccc(Nc3ccc(-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc3)cc2)cc1.

What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;8-iodo-6-phenylnaphtho[2,1-b][1]benzofuran?

The InChIKey is SVQMIRDESDQFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H38N2O.C36H26N2.C22H13IO/c1-3-14-39(15-4-1)40-26-32-45(33-27-40)59(55-25-13-22-51-56-48-19-8-7-18-44(48)38-52(58(56)61-57(51)55)43-16-5-2-6-17-43)46-34-28-41(29-35-46)42-30-36-47(37-31-42)60-53-23-11-9-20-49(53)50-21-10-12-24-54(50)60;1-2-8-26(9-3-1)27-14-20-30(21-15-27)37-31-22-16-28(17-23-31)29-18-24-32(25-19-29)38-35-12-6-4-10-33(35)34-11-5-7-13-36(34)38;23-19-12-6-11-17-20-16-10-5-4-9-15(16)13-18(22(20)24-21(17)19)14-7-2-1-3-8-14/h1-38H;1-25,37H;1-13H.

What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;8-iodo-6-phenylnaphtho[2,1-b][1]benzofuran?

N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;8-iodo-6-phenylnaphtho[2,1-b][1]benzofuran has a molecular weight of 1685.82 g/mol, XLogP of 33.18, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-6-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-8-amine;8-iodo-6-phenylnaphtho[2,1-b][1]benzofuran is sourced from PubChem (CID 160950142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).