9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile;9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]-6-isocyanocarbazole-3-carbonitrile;5-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole-8-carbonitrile;10-[6-(8-isocyanopyrido[4,3-b]indol-5-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine

C159H105N15S4 — CID 159907283

IUPAC9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile;9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]-6-isocyanocarbazole-3-carbonitrile;5-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole-8-carbonitrile;10-[6-(8-isocyanopyrido[4,3-b]indol-5-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cccc3c2sc2c(-n4c5ccccc5c5cc(C#N)ccc54)cccc23)c2ccccc21.CC1(C)c2ccccc2N(c2cccc3c2sc2c(-n4c5ccncc5c5cc(C#N)ccc54)cccc23)c2ccccc21.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc2c1sc1c(N3c4ccccc4C(C)(C)c4ccccc43)cccc12.[C-]#[N+]c1ccc2c(c1)c1cnccc1n2-c1cccc2c1sc1ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc12
InChIInChI=1S/C41H26N4S.C40H27N3S.2C39H26N4S/c1-41(2)31-12-4-6-14-35(31)45(36-15-7-5-13-32(36)41)38-17-9-11-28-27-10-8-16-37(39(27)46-40(28)38)44-33-20-18-25(24-42)22-29(33)30-23-26(43-3)19-21-34(30)44;1-40(2)30-14-4-7-17-34(30)43(35-18-8-5-15-31(35)40)37-20-10-13-28-27-12-9-19-36(38(27)44-39(28)37)42-32-16-6-3-11-26(32)29-23-25(24-41)21-22-33(29)42;1-39(2)30-10-4-6-12-34(30)42(35-13-7-5-11-31(35)39)25-16-18-37-28(22-25)26-9-8-14-36(38(26)44-37)43-32-17-15-24(40-3)21-27(32)29-23-41-20-19-33(29)43;1-39(2)29-11-3-5-13-33(29)43(34-14-6-4-12-30(34)39)36-16-8-10-26-25-9-7-15-35(37(25)44-38(26)36)42-31-18-17-24(22-40)21-27(31)28-23-41-20-19-32(28)42/h4-23H,1-2H3;3-23H,1-2H3;4-23H,1-2H3;3-21,23H,1-2H3
InChIKeyNWSVKTZJLAXFQA-UHFFFAOYSA-N
MW2353.96 g/mol
LogP44.55
Rot. Bonds8

About 9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile;9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]-6-isocyanocarbazole-3-carbonitrile;5-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole-8-carbonitrile;10-[6-(8-isocyanopyrido[4,3-b]indol-5-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine

9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile;9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]-6-isocyanocarbazole-3-carbonitrile;5-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole-8-carbonitrile;10-[6-(8-isocyanopyrido[4,3-b]indol-5-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine (PubChem CID 159907283) has the molecular formula C159H105N15S4 and a molecular weight of 2353.96 g/mol. Its IUPAC name is 9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile;9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]-6-isocyanocarbazole-3-carbonitrile;5-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole-8-carbonitrile;10-[6-(8-isocyanopyrido[4,3-b]indol-5-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile;9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]-6-isocyanocarbazole-3-carbonitrile;5-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole-8-carbonitrile;10-[6-(8-isocyanopyrido[4,3-b]indol-5-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine
PubChem CID159907283
Molecular FormulaC159H105N15S4
Molecular Weight2353.96 g/mol
Exact Mass2351.76
IUPAC Name9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile;9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]-6-isocyanocarbazole-3-carbonitrile;5-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole-8-carbonitrile;10-[6-(8-isocyanopyrido[4,3-b]indol-5-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(c2cccc3c2sc2c(-n4c5ccccc5c5cc(C#N)ccc54)cccc23)c2ccccc21.CC1(C)c2ccccc2N(c2cccc3c2sc2c(-n4c5ccncc5c5cc(C#N)ccc54)cccc23)c2ccccc21.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc2c1sc1c(N3c4ccccc4C(C)(C)c4ccccc43)cccc12.[C-]#[N+]c1ccc2c(c1)c1cnccc1n2-c1cccc2c1sc1ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc12
InChIInChI=1S/C41H26N4S.C40H27N3S.2C39H26N4S/c1-41(2)31-12-4-6-14-35(31)45(36-15-7-5-13-32(36)41)38-17-9-11-28-27-10-8-16-37(39(27)46-40(28)38)44-33-20-18-25(24-42)22-29(33)30-23-26(43-3)19-21-34(30)44;1-40(2)30-14-4-7-17-34(30)43(35-18-8-5-15-31(35)40)37-20-10-13-28-27-12-9-19-36(38(27)44-39(28)37)42-32-16-6-3-11-26(32)29-23-25(24-41)21-22-33(29)42;1-39(2)30-10-4-6-12-34(30)42(35-13-7-5-11-31(35)39)25-16-18-37-28(22-25)26-9-8-14-36(38(26)44-37)43-32-17-15-24(40-3)21-27(32)29-23-41-20-19-33(29)43;1-39(2)29-11-3-5-13-33(29)43(34-14-6-4-12-30(34)39)36-16-8-10-26-25-9-7-15-35(37(25)44-38(26)36)42-31-18-17-24(22-40)21-27(31)28-23-41-20-19-32(28)42/h4-23H,1-2H3;3-23H,1-2H3;4-23H,1-2H3;3-21,23H,1-2H3
InChIKeyNWSVKTZJLAXFQA-UHFFFAOYSA-N
XLogP44.55
TPSA138.55 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds8
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002353.96
LogP ≤ 544.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile;9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]-6-isocyanocarbazole-3-carbonitrile;5-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole-8-carbonitrile;10-[6-(8-isocyanopyrido[4,3-b]indol-5-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine with MolForge

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Related Compounds

9-[6-(3-isocyanocarbazol-9-yl)dibenzothiophen-2-yl]carbazole-3-carbonitrile
CID 161466628
9-[2-(3-isocyanocarbazol-9-yl)-8-methyldibenzothiophen-4-yl]carbazole-3-carbonitrile
CID 158890351
7'-isocyano-10-(3-pyrido[4,3-b]indol-5-ylphenyl)spiro[acridine-9,9'-fluorene]-2'-carbonitrile
CID 140761302
8-(3-isocyanocarbazol-9-yl)-4-(3-methylcarbazol-9-yl)dibenzothiophene-2-carbonitrile
CID 159477530
9-(9-dibenzothiophen-4-ylcarbazol-3-yl)carbazole-3-carbonitrile
CID 118396713
9-[8-(2-methylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile
CID 126754484
10-[3-(3,6-diisocyanocarbazol-9-yl)phenyl]-9,9-dimethylacridine;10-[3-(3-isocyanocarbazol-9-yl)phenyl]-9,9-dimethylacridine;10-[4-(3-isocyanocarbazol-9-yl)-1,3,5-triazin-2-yl]-9,9-dimethylacridine;2'-isocyano-10-[6-(8-isocyanopyrido[4,3-b]indol-5-yl)-2-pyridinyl]spiro[acridine-9,9'-fluorene];7'-isocyano-10-[6-(8-isocyanopyrido[4,3-b]indol-5-yl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]-2'-carbonitrile;10-[3-(8-isocyanopyrido[4,3-b]indol-5-yl)phenyl]-9,9-dimethylacridine
CID 159842247
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
4-[3-[3-(9,9-dimethylacridin-10-yl)-5-pyrido[4,3-b]indol-5-ylphenyl]phenyl]benzene-1,3-dicarbonitrile
CID 126496702
10-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]-9,9-dimethylacridine
CID 140761319
9-(2-carbazol-9-yl-8-cyanodibenzothiophen-4-yl)carbazole-3-carbonitrile
CID 122501076
9-[3-[3-(9-isocyano-[1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 140822804

Frequently Asked Questions

What is the IUPAC name of 9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile;9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]-6-isocyanocarbazole-3-carbonitrile;5-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole-8-carbonitrile;10-[6-(8-isocyanopyrido[4,3-b]indol-5-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine?
The IUPAC name of 9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile;9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]-6-isocyanocarbazole-3-carbonitrile;5-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole-8-carbonitrile;10-[6-(8-isocyanopyrido[4,3-b]indol-5-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine (CID 159907283) is 9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile;9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]-6-isocyanocarbazole-3-carbonitrile;5-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole-8-carbonitrile;10-[6-(8-isocyanopyrido[4,3-b]indol-5-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine.
What is the SMILES notation for 9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile;9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]-6-isocyanocarbazole-3-carbonitrile;5-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole-8-carbonitrile;10-[6-(8-isocyanopyrido[4,3-b]indol-5-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine?
The canonical SMILES for 9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile;9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]-6-isocyanocarbazole-3-carbonitrile;5-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole-8-carbonitrile;10-[6-(8-isocyanopyrido[4,3-b]indol-5-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine is CC1(C)c2ccccc2N(c2cccc3c2sc2c(-n4c5ccccc5c5cc(C#N)ccc54)cccc23)c2ccccc21.CC1(C)c2ccccc2N(c2cccc3c2sc2c(-n4c5ccncc5c5cc(C#N)ccc54)cccc23)c2ccccc21.[C-]#[N+]c1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc2c1sc1c(N3c4ccccc4C(C)(C)c4ccccc43)cccc12.[C-]#[N+]c1ccc2c(c1)c1cnccc1n2-c1cccc2c1sc1ccc(N3c4ccccc4C(C)(C)c4ccccc43)cc12.
What is the InChIKey of 9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile;9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]-6-isocyanocarbazole-3-carbonitrile;5-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole-8-carbonitrile;10-[6-(8-isocyanopyrido[4,3-b]indol-5-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine?
The InChIKey is NWSVKTZJLAXFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4S.C40H27N3S.2C39H26N4S/c1-41(2)31-12-4-6-14-35(31)45(36-15-7-5-13-32(36)41)38-17-9-11-28-27-10-8-16-37(39(27)46-40(28)38)44-33-20-18-25(24-42)22-29(33)30-23-26(43-3)19-21-34(30)44;1-40(2)30-14-4-7-17-34(30)43(35-18-8-5-15-31(35)40)37-20-10-13-28-27-12-9-19-36(38(27)44-39(28)37)42-32-16-6-3-11-26(32)29-23-25(24-41)21-22-33(29)42;1-39(2)30-10-4-6-12-34(30)42(35-13-7-5-11-31(35)39)25-16-18-37-28(22-25)26-9-8-14-36(38(26)44-37)43-32-17-15-24(40-3)21-27(32)29-23-41-20-19-33(29)43;1-39(2)29-11-3-5-13-33(29)43(34-14-6-4-12-30(34)39)36-16-8-10-26-25-9-7-15-35(37(25)44-38(26)36)42-31-18-17-24(22-40)21-27(31)28-23-41-20-19-32(28)42/h4-23H,1-2H3;3-23H,1-2H3;4-23H,1-2H3;3-21,23H,1-2H3.
What are the key properties of 9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile;9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]-6-isocyanocarbazole-3-carbonitrile;5-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole-8-carbonitrile;10-[6-(8-isocyanopyrido[4,3-b]indol-5-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine?
9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile;9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]-6-isocyanocarbazole-3-carbonitrile;5-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole-8-carbonitrile;10-[6-(8-isocyanopyrido[4,3-b]indol-5-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine has a molecular weight of 2353.96 g/mol, XLogP of 44.55, 8 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]carbazole-3-carbonitrile;9-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]-6-isocyanocarbazole-3-carbonitrile;5-[6-(9,9-dimethylacridin-10-yl)dibenzothiophen-4-yl]pyrido[4,3-b]indole-8-carbonitrile;10-[6-(8-isocyanopyrido[4,3-b]indol-5-yl)dibenzothiophen-2-yl]-9,9-dimethylacridine is sourced from PubChem (CID 159907283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).