9-(6-carbazol-9-yldibenzothiophen-1-yl)carbazole-2-carbonitrile;9-(9-carbazol-9-yldibenzothiophen-4-yl)-3-isocyano-6-methylcarbazole;9-(9-carbazol-9-yldibenzothiophen-4-yl)-2-methylcarbazole;6-isocyano-9-[6-(3-methylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole-3-carbonitrile

C151H90N12S4 — CID 160662938

IUPAC9-(6-carbazol-9-yldibenzothiophen-1-yl)carbazole-2-carbonitrile;9-(9-carbazol-9-yldibenzothiophen-4-yl)-3-isocyano-6-methylcarbazole;9-(9-carbazol-9-yldibenzothiophen-4-yl)-2-methylcarbazole;6-isocyano-9-[6-(3-methylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole-3-carbonitrile
SMILESCc1ccc2c3ccccc3n(-c3cccc4c3sc3cccc(-n5c6ccccc6c6ccccc65)c34)c2c1.N#Cc1ccc2c3ccccc3n(-c3cccc4sc5c(-n6c7ccccc7c7ccccc76)cccc5c34)c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc2sc3c(-n4c5ccccc5c5cc(C)ccc54)cccc3c12.[C-]#[N+]c1ccc2c(c1)c1cc(C)ccc1n2-c1cccc2c1sc1cccc(-n3c4ccccc4c4ccccc43)c12
InChIInChI=1S/C39H22N4S.C38H23N3S.C37H21N3S.C37H24N2S/c1-23-13-16-32-28(19-23)26-7-3-4-9-31(26)43(32)36-11-5-8-27-38-35(10-6-12-37(38)44-39(27)36)42-33-17-14-24(22-40)20-29(33)30-21-25(41-2)15-18-34(30)42;1-23-17-19-32-28(21-23)29-22-24(39-2)18-20-33(29)41(32)35-15-7-11-27-37-34(14-8-16-36(37)42-38(27)35)40-30-12-5-3-9-25(30)26-10-4-6-13-31(26)40;38-22-23-19-20-27-26-11-3-6-15-31(26)40(34(27)21-23)32-16-8-18-35-36(32)28-12-7-17-33(37(28)41-35)39-29-13-4-1-9-24(29)25-10-2-5-14-30(25)39;1-23-20-21-27-26-12-4-7-16-31(26)39(34(27)22-23)33-18-8-13-28-36-32(17-9-19-35(36)40-37(28)33)38-29-14-5-2-10-24(29)25-11-3-6-15-30(25)38/h3-21H,1H3;3-22H,1H3;1-21H;2-22H,1H3
InChIKeyRLXJSCIJTNLADW-UHFFFAOYSA-N
MW2200.73 g/mol
LogP42.76
Rot. Bonds8

About 9-(6-carbazol-9-yldibenzothiophen-1-yl)carbazole-2-carbonitrile;9-(9-carbazol-9-yldibenzothiophen-4-yl)-3-isocyano-6-methylcarbazole;9-(9-carbazol-9-yldibenzothiophen-4-yl)-2-methylcarbazole;6-isocyano-9-[6-(3-methylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole-3-carbonitrile

9-(6-carbazol-9-yldibenzothiophen-1-yl)carbazole-2-carbonitrile;9-(9-carbazol-9-yldibenzothiophen-4-yl)-3-isocyano-6-methylcarbazole;9-(9-carbazol-9-yldibenzothiophen-4-yl)-2-methylcarbazole;6-isocyano-9-[6-(3-methylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole-3-carbonitrile (PubChem CID 160662938) has the molecular formula C151H90N12S4 and a molecular weight of 2200.73 g/mol. Its IUPAC name is 9-(6-carbazol-9-yldibenzothiophen-1-yl)carbazole-2-carbonitrile;9-(9-carbazol-9-yldibenzothiophen-4-yl)-3-isocyano-6-methylcarbazole;9-(9-carbazol-9-yldibenzothiophen-4-yl)-2-methylcarbazole;6-isocyano-9-[6-(3-methylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-(6-carbazol-9-yldibenzothiophen-1-yl)carbazole-2-carbonitrile;9-(9-carbazol-9-yldibenzothiophen-4-yl)-3-isocyano-6-methylcarbazole;9-(9-carbazol-9-yldibenzothiophen-4-yl)-2-methylcarbazole;6-isocyano-9-[6-(3-methylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole-3-carbonitrile
PubChem CID160662938
Molecular FormulaC151H90N12S4
Molecular Weight2200.73 g/mol
Exact Mass2198.63
IUPAC Name9-(6-carbazol-9-yldibenzothiophen-1-yl)carbazole-2-carbonitrile;9-(9-carbazol-9-yldibenzothiophen-4-yl)-3-isocyano-6-methylcarbazole;9-(9-carbazol-9-yldibenzothiophen-4-yl)-2-methylcarbazole;6-isocyano-9-[6-(3-methylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole-3-carbonitrile
SMILESCc1ccc2c3ccccc3n(-c3cccc4c3sc3cccc(-n5c6ccccc6c6ccccc65)c34)c2c1.N#Cc1ccc2c3ccccc3n(-c3cccc4sc5c(-n6c7ccccc7c7ccccc76)cccc5c34)c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc2sc3c(-n4c5ccccc5c5cc(C)ccc54)cccc3c12.[C-]#[N+]c1ccc2c(c1)c1cc(C)ccc1n2-c1cccc2c1sc1cccc(-n3c4ccccc4c4ccccc43)c12
InChIInChI=1S/C39H22N4S.C38H23N3S.C37H21N3S.C37H24N2S/c1-23-13-16-32-28(19-23)26-7-3-4-9-31(26)43(32)36-11-5-8-27-38-35(10-6-12-37(38)44-39(27)36)42-33-17-14-24(22-40)20-29(33)30-21-25(41-2)15-18-34(30)42;1-23-17-19-32-28(21-23)29-22-24(39-2)18-20-33(29)41(32)35-15-7-11-27-37-34(14-8-16-36(37)42-38(27)35)40-30-12-5-3-9-25(30)26-10-4-6-13-31(26)40;38-22-23-19-20-27-26-11-3-6-15-31(26)40(34(27)21-23)32-16-8-18-35-36(32)28-12-7-17-33(37(28)41-35)39-29-13-4-1-9-24(29)25-10-2-5-14-30(25)39;1-23-20-21-27-26-12-4-7-16-31(26)39(34(27)22-23)33-18-8-13-28-36-32(17-9-19-35(36)40-37(28)33)38-29-14-5-2-10-24(29)25-11-3-6-15-30(25)38/h3-21H,1H3;3-22H,1H3;1-21H;2-22H,1H3
InChIKeyRLXJSCIJTNLADW-UHFFFAOYSA-N
XLogP42.76
TPSA95.74 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002200.73
LogP ≤ 542.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 9-(6-carbazol-9-yldibenzothiophen-1-yl)carbazole-2-carbonitrile;9-(9-carbazol-9-yldibenzothiophen-4-yl)-3-isocyano-6-methylcarbazole;9-(9-carbazol-9-yldibenzothiophen-4-yl)-2-methylcarbazole;6-isocyano-9-[6-(3-methylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole-3-carbonitrile with MolForge

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Related Compounds

9-[2-(3-isocyanocarbazol-9-yl)-8-methyldibenzothiophen-4-yl]carbazole-3-carbonitrile
CID 158890351
9-[6-(3-isocyanocarbazol-9-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile
CID 161466628
9-[8-(2-methylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile
CID 126754484
8-(3-isocyanocarbazol-9-yl)-4-(3-methylcarbazol-9-yl)dibenzothiophene-2-carbonitrile
CID 159477530
9-[2-[2-(18-isocyano-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-14-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140822859
9-[2-(2-carbazol-9-ylphenyl)phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 159259962
9-[2-[2-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 140822705
9-[4-cyano-2-[5-cyano-2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167401161
9-(2-carbazol-9-yl-8-methyldibenzothiophen-4-yl)carbazole-3-carbonitrile
CID 122498901
9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile
CID 118396713
9-dibenzothiophen-4-yl-3-methylcarbazole
CID 90224671
9-(9-dibenzothiophen-3-yldibenzothiophen-4-yl)carbazole-2-carbonitrile
CID 153168563

Frequently Asked Questions

What is the IUPAC name of 9-(6-carbazol-9-yldibenzothiophen-1-yl)carbazole-2-carbonitrile;9-(9-carbazol-9-yldibenzothiophen-4-yl)-3-isocyano-6-methylcarbazole;9-(9-carbazol-9-yldibenzothiophen-4-yl)-2-methylcarbazole;6-isocyano-9-[6-(3-methylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole-3-carbonitrile?
The IUPAC name of 9-(6-carbazol-9-yldibenzothiophen-1-yl)carbazole-2-carbonitrile;9-(9-carbazol-9-yldibenzothiophen-4-yl)-3-isocyano-6-methylcarbazole;9-(9-carbazol-9-yldibenzothiophen-4-yl)-2-methylcarbazole;6-isocyano-9-[6-(3-methylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole-3-carbonitrile (CID 160662938) is 9-(6-carbazol-9-yldibenzothiophen-1-yl)carbazole-2-carbonitrile;9-(9-carbazol-9-yldibenzothiophen-4-yl)-3-isocyano-6-methylcarbazole;9-(9-carbazol-9-yldibenzothiophen-4-yl)-2-methylcarbazole;6-isocyano-9-[6-(3-methylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-(6-carbazol-9-yldibenzothiophen-1-yl)carbazole-2-carbonitrile;9-(9-carbazol-9-yldibenzothiophen-4-yl)-3-isocyano-6-methylcarbazole;9-(9-carbazol-9-yldibenzothiophen-4-yl)-2-methylcarbazole;6-isocyano-9-[6-(3-methylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole-3-carbonitrile?
The canonical SMILES for 9-(6-carbazol-9-yldibenzothiophen-1-yl)carbazole-2-carbonitrile;9-(9-carbazol-9-yldibenzothiophen-4-yl)-3-isocyano-6-methylcarbazole;9-(9-carbazol-9-yldibenzothiophen-4-yl)-2-methylcarbazole;6-isocyano-9-[6-(3-methylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole-3-carbonitrile is Cc1ccc2c3ccccc3n(-c3cccc4c3sc3cccc(-n5c6ccccc6c6ccccc65)c34)c2c1.N#Cc1ccc2c3ccccc3n(-c3cccc4sc5c(-n6c7ccccc7c7ccccc76)cccc5c34)c2c1.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc2sc3c(-n4c5ccccc5c5cc(C)ccc54)cccc3c12.[C-]#[N+]c1ccc2c(c1)c1cc(C)ccc1n2-c1cccc2c1sc1cccc(-n3c4ccccc4c4ccccc43)c12.
What is the InChIKey of 9-(6-carbazol-9-yldibenzothiophen-1-yl)carbazole-2-carbonitrile;9-(9-carbazol-9-yldibenzothiophen-4-yl)-3-isocyano-6-methylcarbazole;9-(9-carbazol-9-yldibenzothiophen-4-yl)-2-methylcarbazole;6-isocyano-9-[6-(3-methylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole-3-carbonitrile?
The InChIKey is RLXJSCIJTNLADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22N4S.C38H23N3S.C37H21N3S.C37H24N2S/c1-23-13-16-32-28(19-23)26-7-3-4-9-31(26)43(32)36-11-5-8-27-38-35(10-6-12-37(38)44-39(27)36)42-33-17-14-24(22-40)20-29(33)30-21-25(41-2)15-18-34(30)42;1-23-17-19-32-28(21-23)29-22-24(39-2)18-20-33(29)41(32)35-15-7-11-27-37-34(14-8-16-36(37)42-38(27)35)40-30-12-5-3-9-25(30)26-10-4-6-13-31(26)40;38-22-23-19-20-27-26-11-3-6-15-31(26)40(34(27)21-23)32-16-8-18-35-36(32)28-12-7-17-33(37(28)41-35)39-29-13-4-1-9-24(29)25-10-2-5-14-30(25)39;1-23-20-21-27-26-12-4-7-16-31(26)39(34(27)22-23)33-18-8-13-28-36-32(17-9-19-35(36)40-37(28)33)38-29-14-5-2-10-24(29)25-11-3-6-15-30(25)38/h3-21H,1H3;3-22H,1H3;1-21H;2-22H,1H3.
What are the key properties of 9-(6-carbazol-9-yldibenzothiophen-1-yl)carbazole-2-carbonitrile;9-(9-carbazol-9-yldibenzothiophen-4-yl)-3-isocyano-6-methylcarbazole;9-(9-carbazol-9-yldibenzothiophen-4-yl)-2-methylcarbazole;6-isocyano-9-[6-(3-methylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole-3-carbonitrile?
9-(6-carbazol-9-yldibenzothiophen-1-yl)carbazole-2-carbonitrile;9-(9-carbazol-9-yldibenzothiophen-4-yl)-3-isocyano-6-methylcarbazole;9-(9-carbazol-9-yldibenzothiophen-4-yl)-2-methylcarbazole;6-isocyano-9-[6-(3-methylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole-3-carbonitrile has a molecular weight of 2200.73 g/mol, XLogP of 42.76, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-carbazol-9-yldibenzothiophen-1-yl)carbazole-2-carbonitrile;9-(9-carbazol-9-yldibenzothiophen-4-yl)-3-isocyano-6-methylcarbazole;9-(9-carbazol-9-yldibenzothiophen-4-yl)-2-methylcarbazole;6-isocyano-9-[6-(3-methylcarbazol-9-yl)dibenzothiophen-1-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 160662938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).