9-[3-(3-dibenzofuran-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3-dibenzothiophen-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3,5-diphenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-(8-phenyldibenzothiophen-4-yl)phenyl]carbazole

C152H86N12OS2 — CID 158665228

About 9-[3-(3-dibenzofuran-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3-dibenzothiophen-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3,5-diphenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-(8-phenyldibenzothiophen-4-yl)phenyl]carbazole

9-[3-(3-dibenzofuran-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3-dibenzothiophen-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3,5-diphenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-(8-phenyldibenzothiophen-4-yl)phenyl]carbazole (PubChem CID 158665228) has the molecular formula C152H86N12OS2 and a molecular weight of 2160.58 g/mol. Its IUPAC name is 9-[3-(3-dibenzofuran-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3-dibenzothiophen-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3,5-diphenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-(8-phenyldibenzothiophen-4-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 9-[3-(3-dibenzofuran-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3-dibenzothiophen-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3,5-diphenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-(8-phenyldibenzothiophen-4-yl)phenyl]carbazole
• PubChem CID: 158665228
• Molecular Formula: C152H86N12OS2
• Molecular Weight: 2160.58 g/mol
• Exact Mass: 2158.65
• IUPAC Name: 9-[3-(3-dibenzofuran-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3-dibenzothiophen-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3,5-diphenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-(8-phenyldibenzothiophen-4-yl)phenyl]carbazole
• SMILES: [C-]#[N+]c1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cccc(-c3ccc4oc5ccccc5c4c3)c2)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cccc(-c3ccc4sc5ccccc5c4c3)c2)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cccc3c2sc2ccc(-c4ccccc4)cc23)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1
• InChI: InChI=1S/C38H21N3O.2C38H21N3S.C38H23N3/c2*1-39-28-15-16-36-33(23-28)31-10-3-5-12-35(31)41(36)30-20-27(19-29(22-30)40-2)25-9-7-8-24(18-25)26-14-17-38-34(21-26)32-11-4-6-13-37(32)42-38;1-39-27-16-17-36-33(23-27)31-11-6-7-14-35(31)41(36)29-20-26(19-28(22-29)40-2)30-12-8-13-32-34-21-25(24-9-4-3-5-10-24)15-18-37(34)42-38(30)32;1-39-32-17-18-38-36(25-32)35-15-9-10-16-37(35)41(38)34-23-31(22-33(24-34)40-2)30-20-28(26-11-5-3-6-12-26)19-29(21-30)27-13-7-4-8-14-27/h3*3-23H;3-25H
• InChIKey: IDGNYPCGDPLSQY-UHFFFAOYSA-N
• XLogP: 45.18
• TPSA: 67.74 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2160.58
LogP ≤ 5	45.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3-dibenzothiophen-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3,5-diphenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-(8-phenyldibenzothiophen-4-yl)phenyl]carbazole?

The IUPAC name of 9-[3-(3-dibenzofuran-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3-dibenzothiophen-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3,5-diphenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-(8-phenyldibenzothiophen-4-yl)phenyl]carbazole (CID 158665228) is 9-[3-(3-dibenzofuran-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3-dibenzothiophen-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3,5-diphenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-(8-phenyldibenzothiophen-4-yl)phenyl]carbazole.

What is the SMILES notation for 9-[3-(3-dibenzofuran-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3-dibenzothiophen-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3,5-diphenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-(8-phenyldibenzothiophen-4-yl)phenyl]carbazole?

The canonical SMILES for 9-[3-(3-dibenzofuran-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3-dibenzothiophen-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3,5-diphenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-(8-phenyldibenzothiophen-4-yl)phenyl]carbazole is [C-]#[N+]c1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cccc(-c3ccc4oc5ccccc5c4c3)c2)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cccc(-c3ccc4sc5ccccc5c4c3)c2)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.[C-]#[N+]c1cc(-c2cccc3c2sc2ccc(-c4ccccc4)cc23)cc(-n2c3ccccc3c3cc([N+]#[C-])ccc32)c1.

What is the InChIKey of 9-[3-(3-dibenzofuran-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3-dibenzothiophen-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3,5-diphenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-(8-phenyldibenzothiophen-4-yl)phenyl]carbazole?

The InChIKey is IDGNYPCGDPLSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H21N3O.2C38H21N3S.C38H23N3/c2*1-39-28-15-16-36-33(23-28)31-10-3-5-12-35(31)41(36)30-20-27(19-29(22-30)40-2)25-9-7-8-24(18-25)26-14-17-38-34(21-26)32-11-4-6-13-37(32)42-38;1-39-27-16-17-36-33(23-27)31-11-6-7-14-35(31)41(36)29-20-26(19-28(22-29)40-2)30-12-8-13-32-34-21-25(24-9-4-3-5-10-24)15-18-37(34)42-38(30)32;1-39-32-17-18-38-36(25-32)35-15-9-10-16-37(35)41(38)34-23-31(22-33(24-34)40-2)30-20-28(26-11-5-3-6-12-26)19-29(21-30)27-13-7-4-8-14-27/h3*3-23H;3-25H.

What are the key properties of 9-[3-(3-dibenzofuran-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3-dibenzothiophen-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3,5-diphenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-(8-phenyldibenzothiophen-4-yl)phenyl]carbazole?

9-[3-(3-dibenzofuran-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3-dibenzothiophen-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3,5-diphenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-(8-phenyldibenzothiophen-4-yl)phenyl]carbazole has a molecular weight of 2160.58 g/mol, XLogP of 45.18, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(3-dibenzofuran-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3-dibenzothiophen-2-ylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;9-[3-(3,5-diphenylphenyl)-5-isocyanophenyl]-3-isocyanocarbazole;3-isocyano-9-[3-isocyano-5-(8-phenyldibenzothiophen-4-yl)phenyl]carbazole is sourced from PubChem (CID 158665228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).