9-[3-(3-dibenzofuran-2-yl-5-phenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]carbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzothiophen-2-yl]phenyl]carbazole

C132H75N9O2S — CID 159419548

About 9-[3-(3-dibenzofuran-2-yl-5-phenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]carbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzothiophen-2-yl]phenyl]carbazole

9-[3-(3-dibenzofuran-2-yl-5-phenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]carbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzothiophen-2-yl]phenyl]carbazole (PubChem CID 159419548) has the molecular formula C132H75N9O2S and a molecular weight of 1851.18 g/mol. Its IUPAC name is 9-[3-(3-dibenzofuran-2-yl-5-phenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]carbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzothiophen-2-yl]phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-(3-dibenzofuran-2-yl-5-phenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]carbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzothiophen-2-yl]phenyl]carbazole
• PubChem CID: 159419548
• Molecular Formula: C132H75N9O2S
• Molecular Weight: 1851.18 g/mol
• Exact Mass: 1849.58
• IUPAC Name: 9-[3-(3-dibenzofuran-2-yl-5-phenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]carbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzothiophen-2-yl]phenyl]carbazole
• SMILES: [C-]#[N+]c1cc(-c2cc(-c3cccc(-c4ccccc4)c3)c3oc4ccccc4c3c2)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cc(-c3cccc(-c4ccccc4)c3)c3sc4ccccc4c3c2)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cc(-c3ccccc3)cc(-c3ccc4oc5ccccc5c4c3)c2)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1
• InChI: InChI=1S/2C44H25N3O.C44H25N3S/c1-45-33-19-20-42-39(27-33)36-15-6-8-17-41(36)47(42)35-23-31(22-34(26-35)46-2)32-24-38(44-40(25-32)37-16-7-9-18-43(37)48-44)30-14-10-13-29(21-30)28-11-4-3-5-12-28;1-45-34-17-18-42-39(27-34)37-12-6-8-14-41(37)47(42)36-24-33(23-35(26-36)46-2)32-21-30(28-10-4-3-5-11-28)20-31(22-32)29-16-19-44-40(25-29)38-13-7-9-15-43(38)48-44;1-45-33-19-20-42-39(27-33)36-15-6-8-17-41(36)47(42)35-23-31(22-34(26-35)46-2)32-24-38(44-40(25-32)37-16-7-9-18-43(37)48-44)30-14-10-13-29(21-30)28-11-4-3-5-12-28/h3*3-27H
• InChIKey: LPOYGMDCYGAOMR-UHFFFAOYSA-N
• XLogP: 38.83
• TPSA: 67.23 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1851.18
LogP ≤ 5	38.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[3-(3-dibenzofuran-2-yl-5-phenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]carbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzothiophen-2-yl]phenyl]carbazole?

The IUPAC name of 9-[3-(3-dibenzofuran-2-yl-5-phenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]carbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzothiophen-2-yl]phenyl]carbazole (CID 159419548) is 9-[3-(3-dibenzofuran-2-yl-5-phenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]carbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzothiophen-2-yl]phenyl]carbazole.

What is the SMILES notation for 9-[3-(3-dibenzofuran-2-yl-5-phenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]carbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzothiophen-2-yl]phenyl]carbazole?

The canonical SMILES for 9-[3-(3-dibenzofuran-2-yl-5-phenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]carbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzothiophen-2-yl]phenyl]carbazole is [C-]#[N+]c1cc(-c2cc(-c3cccc(-c4ccccc4)c3)c3oc4ccccc4c3c2)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cc(-c3cccc(-c4ccccc4)c3)c3sc4ccccc4c3c2)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cc(-c3ccccc3)cc(-c3ccc4oc5ccccc5c4c3)c2)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.

What is the InChIKey of 9-[3-(3-dibenzofuran-2-yl-5-phenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]carbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzothiophen-2-yl]phenyl]carbazole?

The InChIKey is LPOYGMDCYGAOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H25N3O.C44H25N3S/c1-45-33-19-20-42-39(27-33)36-15-6-8-17-41(36)47(42)35-23-31(22-34(26-35)46-2)32-24-38(44-40(25-32)37-16-7-9-18-43(37)48-44)30-14-10-13-29(21-30)28-11-4-3-5-12-28;1-45-34-17-18-42-39(27-34)37-12-6-8-14-41(37)47(42)36-24-33(23-35(26-36)46-2)32-21-30(28-10-4-3-5-11-28)20-31(22-32)29-16-19-44-40(25-29)38-13-7-9-15-43(38)48-44;1-45-33-19-20-42-39(27-33)36-15-6-8-17-41(36)47(42)35-23-31(22-34(26-35)46-2)32-24-38(44-40(25-32)37-16-7-9-18-43(37)48-44)30-14-10-13-29(21-30)28-11-4-3-5-12-28/h3*3-27H.

What are the key properties of 9-[3-(3-dibenzofuran-2-yl-5-phenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]carbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzothiophen-2-yl]phenyl]carbazole?

9-[3-(3-dibenzofuran-2-yl-5-phenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]carbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzothiophen-2-yl]phenyl]carbazole has a molecular weight of 1851.18 g/mol, XLogP of 38.83, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(3-dibenzofuran-2-yl-5-phenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]carbazole;3-isocyano-9-[3-isocyano-5-[4-(3-phenylphenyl)dibenzothiophen-2-yl]phenyl]carbazole is sourced from PubChem (CID 159419548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).