5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole

C156H90F9N9O2S2 — CID 161433471

About 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole

5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole (PubChem CID 161433471) has the molecular formula C156H90F9N9O2S2 and a molecular weight of 2357.61 g/mol. Its IUPAC name is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole
• PubChem CID: 161433471
• Molecular Formula: C156H90F9N9O2S2
• Molecular Weight: 2357.61 g/mol
• Exact Mass: 2355.65
• IUPAC Name: 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole
• SMILES: [C-]#[N+]c1ccc(-c2cc(C(F)(F)F)ccc2-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c1.[C-]#[N+]c1ccc(-c2cc(C(F)(F)F)ccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.[C-]#[N+]c1ccc(-c2cc(C(F)(F)F)ccc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1
• InChI: InChI=1S/C56H38F3N3.C50H26F3N3O2.C50H26F3N3S2/c1-54(2)42-18-10-6-14-34(42)37-25-28-47-50(52(37)54)39-16-8-12-20-44(39)61(47)46-27-22-32(56(57,58)59)30-41(46)36-24-23-33(60-5)31-49(36)62-45-21-13-9-17-40(45)51-48(62)29-26-38-35-15-7-11-19-43(35)55(3,4)53(38)51;2*1-54-29-19-20-30(43(27-29)56-39-15-7-3-13-36(39)47-42(56)25-22-34-32-11-5-9-17-45(32)58-49(34)47)37-26-28(50(51,52)53)18-23-40(37)55-38-14-6-2-12-35(38)46-41(55)24-21-33-31-10-4-8-16-44(31)57-48(33)46/h6-31H,1-4H3;2*2-27H
• InChIKey: VYIDFTVXTVLTGR-UHFFFAOYSA-N
• XLogP: 46.50
• TPSA: 68.94 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2357.61
LogP ≤ 5	46.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole?

The IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole (CID 161433471) is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole.

What is the SMILES notation for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole?

The canonical SMILES for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole is [C-]#[N+]c1ccc(-c2cc(C(F)(F)F)ccc2-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c1.[C-]#[N+]c1ccc(-c2cc(C(F)(F)F)ccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.[C-]#[N+]c1ccc(-c2cc(C(F)(F)F)ccc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.

What is the InChIKey of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole?

The InChIKey is VYIDFTVXTVLTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38F3N3.C50H26F3N3O2.C50H26F3N3S2/c1-54(2)42-18-10-6-14-34(42)37-25-28-47-50(52(37)54)39-16-8-12-20-44(39)61(47)46-27-22-32(56(57,58)59)30-41(46)36-24-23-33(60-5)31-49(36)62-45-21-13-9-17-40(45)51-48(62)29-26-38-35-15-7-11-19-43(35)55(3,4)53(38)51;2*1-54-29-19-20-30(43(27-29)56-39-15-7-3-13-36(39)47-42(56)25-22-34-32-11-5-9-17-45(32)58-49(34)47)37-26-28(50(51,52)53)18-23-40(37)55-38-14-6-2-12-35(38)46-41(55)24-21-33-31-10-4-8-16-44(31)57-48(33)46/h6-31H,1-4H3;2*2-27H.

What are the key properties of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole?

5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole has a molecular weight of 2357.61 g/mol, XLogP of 46.50, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-(trifluoromethyl)phenyl]-12,12-dimethylindeno[1,2-c]carbazole is sourced from PubChem (CID 161433471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).