9-(8-dibenzothiophen-1-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-2-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-3-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-4-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole

C196H112N8O4S4 — CID 158211290

IUPAC9-(8-dibenzothiophen-1-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-2-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-3-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-4-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole
SMILES[C-]#[N+]c1cc(-c2ccc3c(c2)sc2ccccc23)cc2c1oc1c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cccc12.[C-]#[N+]c1cc(-c2ccc3sc4ccccc4c3c2)cc2c1oc1c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cccc12.[C-]#[N+]c1cc(-c2cccc3c2sc2ccccc23)cc2c1oc1c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cccc12.[C-]#[N+]c1cc(-c2cccc3sc4ccccc4c23)cc2c1oc1c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cccc12
InChIInChI=1S/4C49H28N2OS/c1-50-41-29-34(35-17-11-21-46-47(35)37-16-8-9-20-45(37)53-46)28-40-36-18-10-19-44(49(36)52-48(40)41)51-42-24-22-32(30-12-4-2-5-13-30)26-38(42)39-27-33(23-25-43(39)51)31-14-6-3-7-15-31;1-50-42-29-34(35-17-10-19-38-36-16-8-9-21-46(36)53-49(35)38)28-41-37-18-11-20-45(48(37)52-47(41)42)51-43-24-22-32(30-12-4-2-5-13-30)26-39(43)40-27-33(23-25-44(40)51)31-14-6-3-7-15-31;1-50-42-28-35(34-19-22-37-36-15-8-9-18-46(36)53-47(37)29-34)27-41-38-16-10-17-45(49(38)52-48(41)42)51-43-23-20-32(30-11-4-2-5-12-30)25-39(43)40-26-33(21-24-44(40)51)31-13-6-3-7-14-31;1-50-42-29-35(34-21-24-47-40(27-34)36-15-8-9-18-46(36)53-47)28-41-37-16-10-17-45(49(37)52-48(41)42)51-43-22-19-32(30-11-4-2-5-12-30)25-38(43)39-26-33(20-23-44(39)51)31-13-6-3-7-14-31/h4*2-29H
InChIKeyGCCLLQMFXIFBBX-UHFFFAOYSA-N
MW2771.37 g/mol
LogP58.41
Rot. Bonds16

About 9-(8-dibenzothiophen-1-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-2-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-3-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-4-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole

9-(8-dibenzothiophen-1-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-2-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-3-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-4-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole (PubChem CID 158211290) has the molecular formula C196H112N8O4S4 and a molecular weight of 2771.37 g/mol. Its IUPAC name is 9-(8-dibenzothiophen-1-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-2-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-3-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-4-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-(8-dibenzothiophen-1-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-2-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-3-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-4-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole
PubChem CID158211290
Molecular FormulaC196H112N8O4S4
Molecular Weight2771.37 g/mol
Exact Mass2768.77
IUPAC Name9-(8-dibenzothiophen-1-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-2-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-3-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-4-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole
SMILES[C-]#[N+]c1cc(-c2ccc3c(c2)sc2ccccc23)cc2c1oc1c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cccc12.[C-]#[N+]c1cc(-c2ccc3sc4ccccc4c3c2)cc2c1oc1c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cccc12.[C-]#[N+]c1cc(-c2cccc3c2sc2ccccc23)cc2c1oc1c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cccc12.[C-]#[N+]c1cc(-c2cccc3sc4ccccc4c23)cc2c1oc1c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cccc12
InChIInChI=1S/4C49H28N2OS/c1-50-41-29-34(35-17-11-21-46-47(35)37-16-8-9-20-45(37)53-46)28-40-36-18-10-19-44(49(36)52-48(40)41)51-42-24-22-32(30-12-4-2-5-13-30)26-38(42)39-27-33(23-25-43(39)51)31-14-6-3-7-15-31;1-50-42-29-34(35-17-10-19-38-36-16-8-9-21-46(36)53-49(35)38)28-41-37-18-11-20-45(48(37)52-47(41)42)51-43-24-22-32(30-12-4-2-5-13-30)26-39(43)40-27-33(23-25-44(40)51)31-14-6-3-7-15-31;1-50-42-28-35(34-19-22-37-36-15-8-9-18-46(36)53-47(37)29-34)27-41-38-16-10-17-45(49(38)52-48(41)42)51-43-23-20-32(30-11-4-2-5-12-30)25-39(43)40-26-33(21-24-44(40)51)31-13-6-3-7-14-31;1-50-42-29-35(34-21-24-47-40(27-34)36-15-8-9-18-46(36)53-47)28-41-37-16-10-17-45(49(37)52-48(41)42)51-43-22-19-32(30-11-4-2-5-12-30)25-38(43)39-26-33(20-23-44(39)51)31-13-6-3-7-14-31/h4*2-29H
InChIKeyGCCLLQMFXIFBBX-UHFFFAOYSA-N
XLogP58.41
TPSA89.72 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002771.37
LogP ≤ 558.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 9-(8-dibenzothiophen-1-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-2-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-3-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-4-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole with MolForge

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Related Compounds

9-(8-dibenzothiophen-1-yl-6-phenyldibenzofuran-4-yl)-3-phenylcarbazole;9-(8-dibenzothiophen-2-yl-6-phenyldibenzofuran-4-yl)-3-phenylcarbazole;9-(8-dibenzothiophen-3-yl-6-phenyldibenzofuran-4-yl)-3-phenylcarbazole;9-(8-dibenzothiophen-4-yl-6-phenyldibenzofuran-4-yl)-3-phenylcarbazole
CID 157074673
9-(8-dibenzothiophen-2-yl-6-isocyanodibenzofuran-4-yl)carbazole
CID 161065016
9-(8-dibenzothiophen-1-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-2-phenylcarbazole;9-(8-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-phenylcarbazole
CID 158873491
9-(8-dibenzothiophen-1-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole;9-(8-dibenzothiophen-4-yldibenzothiophen-4-yl)carbazole
CID 162055088
9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole
CID 158837485
3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole
CID 163571308
9-(8-dibenzothiophen-3-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 147466855
9-(9-dibenzothiophen-1-yl-6-phenyldibenzothiophen-4-yl)-3,6-dimethylcarbazole;9-(9-dibenzothiophen-1-yl-6-phenyldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yl-6-phenyldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-3-yl-6-phenyldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-4-yl-6-phenyldibenzothiophen-4-yl)-3,6-diphenylcarbazole
CID 159688864
9-dibenzofuran-4-yl-6-dibenzothiophen-4-yl-2-phenylcarbazole
CID 163656757
9-(8-dibenzothiophen-1-yl-6-isocyanodibenzothiophen-4-yl)-3,6-dimethylcarbazole
CID 160931924
9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-3-carbonitrile;9-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-2-phenylcarbazole
CID 161330058
9-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-3-phenylcarbazole
CID 146725670

Frequently Asked Questions

What is the IUPAC name of 9-(8-dibenzothiophen-1-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-2-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-3-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-4-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole?
The IUPAC name of 9-(8-dibenzothiophen-1-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-2-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-3-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-4-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole (CID 158211290) is 9-(8-dibenzothiophen-1-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-2-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-3-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-4-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole.
What is the SMILES notation for 9-(8-dibenzothiophen-1-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-2-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-3-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-4-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole?
The canonical SMILES for 9-(8-dibenzothiophen-1-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-2-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-3-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-4-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole is [C-]#[N+]c1cc(-c2ccc3c(c2)sc2ccccc23)cc2c1oc1c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cccc12.[C-]#[N+]c1cc(-c2ccc3sc4ccccc4c3c2)cc2c1oc1c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cccc12.[C-]#[N+]c1cc(-c2cccc3c2sc2ccccc23)cc2c1oc1c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cccc12.[C-]#[N+]c1cc(-c2cccc3sc4ccccc4c23)cc2c1oc1c(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cccc12.
What is the InChIKey of 9-(8-dibenzothiophen-1-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-2-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-3-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-4-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole?
The InChIKey is GCCLLQMFXIFBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C49H28N2OS/c1-50-41-29-34(35-17-11-21-46-47(35)37-16-8-9-20-45(37)53-46)28-40-36-18-10-19-44(49(36)52-48(40)41)51-42-24-22-32(30-12-4-2-5-13-30)26-38(42)39-27-33(23-25-43(39)51)31-14-6-3-7-15-31;1-50-42-29-34(35-17-10-19-38-36-16-8-9-21-46(36)53-49(35)38)28-41-37-18-11-20-45(48(37)52-47(41)42)51-43-24-22-32(30-12-4-2-5-13-30)26-39(43)40-27-33(23-25-44(40)51)31-14-6-3-7-15-31;1-50-42-28-35(34-19-22-37-36-15-8-9-18-46(36)53-47(37)29-34)27-41-38-16-10-17-45(49(38)52-48(41)42)51-43-23-20-32(30-11-4-2-5-12-30)25-39(43)40-26-33(21-24-44(40)51)31-13-6-3-7-14-31;1-50-42-29-35(34-21-24-47-40(27-34)36-15-8-9-18-46(36)53-47)28-41-37-16-10-17-45(49(37)52-48(41)42)51-43-22-19-32(30-11-4-2-5-12-30)25-38(43)39-26-33(20-23-44(39)51)31-13-6-3-7-14-31/h4*2-29H.
What are the key properties of 9-(8-dibenzothiophen-1-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-2-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-3-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-4-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole?
9-(8-dibenzothiophen-1-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-2-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-3-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-4-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole has a molecular weight of 2771.37 g/mol, XLogP of 58.41, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-dibenzothiophen-1-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-2-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-3-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole;9-(8-dibenzothiophen-4-yl-6-isocyanodibenzofuran-4-yl)-3,6-diphenylcarbazole is sourced from PubChem (CID 158211290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).