2-[5-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-isocyanophenyl]-3-carbazol-9-ylbenzonitrile;4-carbazol-9-yl-3-[4-cyano-3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;2-(2-carbazol-9-yl-3-isocyanophenyl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-carbazol-9-ylphenyl)-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,3-dicarbonitrile

C188H113N17S — CID 157495646

IUPAC2-[5-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-isocyanophenyl]-3-carbazol-9-ylbenzonitrile;4-carbazol-9-yl-3-[4-cyano-3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;2-(2-carbazol-9-yl-3-isocyanophenyl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-carbazol-9-ylphenyl)-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,3-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1c(C#N)ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1C#N.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cc(-c5cc(C#N)ccc5-n5c6ccccc6c6ccccc65)ccc4C#N)c3c21.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)cc1-c1c(C#N)cccc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c2C#N)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C50H29N5.2C47H30N4.C44H24N4S/c1-52-41-23-13-22-37(49(41)54-42-24-9-5-17-34(42)35-18-6-10-25-43(35)54)33-21-14-28-46(40(33)31-51)55-44-26-11-7-19-36(44)38-29-30-47-48(50(38)55)39-20-8-12-27-45(39)53(47)32-15-3-2-4-16-32;1-47(2)39-18-8-3-13-31(39)36-26-45-37(25-40(36)47)35-17-7-12-22-44(35)51(45)46-29(27-48)23-24-30(38(46)28-49)32-14-4-9-19-41(32)50-42-20-10-5-15-33(42)34-16-6-11-21-43(34)50;1-47(2)39-15-7-3-11-32(39)36-22-23-37-35-14-6-10-18-42(35)51(46(37)45(36)47)44-26-30(20-21-31(44)28-49)38-25-29(27-48)19-24-43(38)50-40-16-8-4-12-33(40)34-13-5-9-17-41(34)50;1-46-36-22-21-28(47-37-16-6-4-14-31(37)33-24-34-32-15-5-9-20-42(32)49-43(34)25-41(33)47)23-35(36)44-27(26-45)11-10-19-40(44)48-38-17-7-2-12-29(38)30-13-3-8-18-39(30)48/h2-30H;2*3-26H,1-2H3;2-25H
InChIKeyBXUNKUKNMBWECU-UHFFFAOYSA-N
MW2642.16 g/mol
LogP48.60
Rot. Bonds13

About 2-[5-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-isocyanophenyl]-3-carbazol-9-ylbenzonitrile;4-carbazol-9-yl-3-[4-cyano-3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;2-(2-carbazol-9-yl-3-isocyanophenyl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-carbazol-9-ylphenyl)-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,3-dicarbonitrile

2-[5-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-isocyanophenyl]-3-carbazol-9-ylbenzonitrile;4-carbazol-9-yl-3-[4-cyano-3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;2-(2-carbazol-9-yl-3-isocyanophenyl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-carbazol-9-ylphenyl)-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,3-dicarbonitrile (PubChem CID 157495646) has the molecular formula C188H113N17S and a molecular weight of 2642.16 g/mol. Its IUPAC name is 2-[5-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-isocyanophenyl]-3-carbazol-9-ylbenzonitrile;4-carbazol-9-yl-3-[4-cyano-3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;2-(2-carbazol-9-yl-3-isocyanophenyl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-carbazol-9-ylphenyl)-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[5-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-isocyanophenyl]-3-carbazol-9-ylbenzonitrile;4-carbazol-9-yl-3-[4-cyano-3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;2-(2-carbazol-9-yl-3-isocyanophenyl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-carbazol-9-ylphenyl)-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,3-dicarbonitrile
PubChem CID157495646
Molecular FormulaC188H113N17S
Molecular Weight2642.16 g/mol
Exact Mass2639.91
IUPAC Name2-[5-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-isocyanophenyl]-3-carbazol-9-ylbenzonitrile;4-carbazol-9-yl-3-[4-cyano-3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;2-(2-carbazol-9-yl-3-isocyanophenyl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-carbazol-9-ylphenyl)-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,3-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1c(C#N)ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1C#N.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cc(-c5cc(C#N)ccc5-n5c6ccccc6c6ccccc65)ccc4C#N)c3c21.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)cc1-c1c(C#N)cccc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c2C#N)c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C50H29N5.2C47H30N4.C44H24N4S/c1-52-41-23-13-22-37(49(41)54-42-24-9-5-17-34(42)35-18-6-10-25-43(35)54)33-21-14-28-46(40(33)31-51)55-44-26-11-7-19-36(44)38-29-30-47-48(50(38)55)39-20-8-12-27-45(39)53(47)32-15-3-2-4-16-32;1-47(2)39-18-8-3-13-31(39)36-26-45-37(25-40(36)47)35-17-7-12-22-44(35)51(45)46-29(27-48)23-24-30(38(46)28-49)32-14-4-9-19-41(32)50-42-20-10-5-15-33(42)34-16-6-11-21-43(34)50;1-47(2)39-15-7-3-11-32(39)36-22-23-37-35-14-6-10-18-42(35)51(46(37)45(36)47)44-26-30(20-21-31(44)28-49)38-25-29(27-48)19-24-43(38)50-40-16-8-4-12-33(40)34-13-5-9-17-41(34)50;1-46-36-22-21-28(47-37-16-6-4-14-31(37)33-24-34-32-15-5-9-20-42(32)49-43(34)25-41(33)47)23-35(36)44-27(26-45)11-10-19-40(44)48-38-17-7-2-12-29(38)30-13-3-8-18-39(30)48/h2-30H;2*3-26H,1-2H3;2-25H
InChIKeyBXUNKUKNMBWECU-UHFFFAOYSA-N
XLogP48.60
TPSA195.83 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002642.16
LogP ≤ 548.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-[5-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-isocyanophenyl]-3-carbazol-9-ylbenzonitrile;4-carbazol-9-yl-3-[4-cyano-3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;2-(2-carbazol-9-yl-3-isocyanophenyl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-carbazol-9-ylphenyl)-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,3-dicarbonitrile with MolForge

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Related Compounds

2-[5-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-isocyanophenyl]-3-carbazol-9-ylbenzonitrile;3-[3-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-4-carbazol-9-yl-5-isocyanobenzonitrile;4-carbazol-9-yl-3-[4-cyano-3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;2-(2-carbazol-9-yl-3-isocyanophenyl)-6-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;9-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;2-(2-carbazol-9-yl-3-isocyanophenyl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;5-[3-(2-carbazol-9-yl-3-isocyanophenyl)phenyl]-12-phenylindolo[3,2-c]carbazole;4-(2-carbazol-9-ylphenyl)-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 165038180
2-[4-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-cyanophenyl]-3-carbazol-9-ylbenzonitrile;2-(2-carbazol-9-yl-4-isocyanophenyl)-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzonitrile;4-carbazol-9-yl-3-isocyano-5-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;5-(2-carbazol-9-ylphenyl)-2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;2-(2-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 163525867
3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)-5-cyanophenyl]-5-carbazol-9-ylbenzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile
CID 158558993
3-[3-([1]benzothiolo[2,3-b]carbazol-7-yl)-5-cyanophenyl]-5-carbazol-9-ylbenzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile;3-carbazol-9-yl-5-[3-cyano-5-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]benzonitrile;3-(3-carbazol-9-yl-5-cyanophenyl)-5-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)benzonitrile;3-(3-carbazol-9-ylphenyl)-5-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 164997432
5-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,3-dicarbonitrile
CID 139339793
3-(7,7-dimethyl-3,4-dihydrofluoreno[2,3-b][1]benzothiol-3-yl)-2-(3-isocyanocarbazol-9-yl)benzonitrile;3-(7,7-dimethylfluoreno[2,3-b][1]benzothiol-3-yl)-4-(3-isocyanocarbazol-9-yl)benzonitrile;4-(7,7-dimethylfluoreno[2,3-b][1]benzothiol-3-yl)-3-(3-isocyanocarbazol-9-yl)benzonitrile;9-[2-(7,7-dimethylfluoreno[2,3-b][1]benzothiol-3-yl)-3-isocyanophenyl]-3-isocyanocarbazole
CID 161351527
2-carbazol-9-yl-3-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-3-yl)benzonitrile;3-carbazol-9-yl-4-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-3-yl)benzonitrile;9-[2-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-3-yl)-3-isocyanophenyl]carbazole;9-[2-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-3-yl)-4-isocyanophenyl]carbazole;9-[2-(7,7-dimethylfluoreno[4,3-b][1]benzothiol-3-yl)-3-isocyanophenyl]-3-isocyanocarbazole
CID 161315918
9-[3-[2-(2-carbazol-9-yl-6-cyanophenyl)phenyl]phenyl]carbazole-3,5-dicarbonitrile;9-[2-[2-[5-(3-cyanocarbazol-9-yl)-2-isocyanophenyl]phenyl]phenyl]carbazole-1-carbonitrile;9-[4-isocyano-3-[2-[2-(2-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[4-isocyano-3-[2-[2-(3-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile;9-[4-isocyano-3-[2-[2-(4-isocyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 157339409
4-carbazol-9-yl-5-(15,15-dimethyl-19-phenyl-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaen-11-yl)benzene-1,2-dicarbonitrile;3-carbazol-9-yl-4-(19,19-dimethyl-11-thia-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaen-15-yl)-5-isocyanobenzonitrile;2-carbazol-9-yl-3-isocyano-6-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile;2-carbazol-9-yl-3-isocyano-5-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;2-carbazol-9-yl-5-isocyano-3-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile;5-carbazol-9-yl-4-isocyano-2-(24-phenyl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)benzonitrile
CID 157169829
2-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-6-(3-cyanophenyl)benzonitrile;4-[2-([1]benzothiolo[2,3-b]carbazol-7-yl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-2-(3-cyanophenyl)benzonitrile;3-[2,4-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(3-cyanophenyl)benzonitrile
CID 161146073
9-[2-cyano-6-(7,7-dimethylfluoreno[2,3-b][1]benzothiol-3-yl)phenyl]carbazole-3-carbonitrile
CID 126582557
8-(2-carbazol-9-yl-3-cyanophenyl)dibenzothiophene-2-carbonitrile;8-(2-carbazol-9-yl-4-cyanophenyl)dibenzothiophene-2-carbonitrile;8-(2-carbazol-9-yl-5-cyanophenyl)dibenzothiophene-2-carbonitrile;8-(2-carbazol-9-yl-6-cyanophenyl)dibenzothiophene-2-carbonitrile;7-(2-carbazol-9-ylphenyl)dibenzothiophene-3-carbonitrile
CID 163831971

Frequently Asked Questions

What is the IUPAC name of 2-[5-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-isocyanophenyl]-3-carbazol-9-ylbenzonitrile;4-carbazol-9-yl-3-[4-cyano-3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;2-(2-carbazol-9-yl-3-isocyanophenyl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-carbazol-9-ylphenyl)-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[5-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-isocyanophenyl]-3-carbazol-9-ylbenzonitrile;4-carbazol-9-yl-3-[4-cyano-3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;2-(2-carbazol-9-yl-3-isocyanophenyl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-carbazol-9-ylphenyl)-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,3-dicarbonitrile (CID 157495646) is 2-[5-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-isocyanophenyl]-3-carbazol-9-ylbenzonitrile;4-carbazol-9-yl-3-[4-cyano-3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;2-(2-carbazol-9-yl-3-isocyanophenyl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-carbazol-9-ylphenyl)-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[5-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-isocyanophenyl]-3-carbazol-9-ylbenzonitrile;4-carbazol-9-yl-3-[4-cyano-3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;2-(2-carbazol-9-yl-3-isocyanophenyl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-carbazol-9-ylphenyl)-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[5-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-isocyanophenyl]-3-carbazol-9-ylbenzonitrile;4-carbazol-9-yl-3-[4-cyano-3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;2-(2-carbazol-9-yl-3-isocyanophenyl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-carbazol-9-ylphenyl)-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,3-dicarbonitrile is CC1(C)c2ccccc2-c2cc3c(cc21)c1ccccc1n3-c1c(C#N)ccc(-c2ccccc2-n2c3ccccc3c3ccccc32)c1C#N.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cc(-c5cc(C#N)ccc5-n5c6ccccc6c6ccccc65)ccc4C#N)c3c21.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc4c(cc32)sc2ccccc24)cc1-c1c(C#N)cccc1-n1c2ccccc2c2ccccc21.[C-]#[N+]c1cccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)c2C#N)c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 2-[5-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-isocyanophenyl]-3-carbazol-9-ylbenzonitrile;4-carbazol-9-yl-3-[4-cyano-3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;2-(2-carbazol-9-yl-3-isocyanophenyl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-carbazol-9-ylphenyl)-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,3-dicarbonitrile?
The InChIKey is BXUNKUKNMBWECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29N5.2C47H30N4.C44H24N4S/c1-52-41-23-13-22-37(49(41)54-42-24-9-5-17-34(42)35-18-6-10-25-43(35)54)33-21-14-28-46(40(33)31-51)55-44-26-11-7-19-36(44)38-29-30-47-48(50(38)55)39-20-8-12-27-45(39)53(47)32-15-3-2-4-16-32;1-47(2)39-18-8-3-13-31(39)36-26-45-37(25-40(36)47)35-17-7-12-22-44(35)51(45)46-29(27-48)23-24-30(38(46)28-49)32-14-4-9-19-41(32)50-42-20-10-5-15-33(42)34-16-6-11-21-43(34)50;1-47(2)39-15-7-3-11-32(39)36-22-23-37-35-14-6-10-18-42(35)51(46(37)45(36)47)44-26-30(20-21-31(44)28-49)38-25-29(27-48)19-24-43(38)50-40-16-8-4-12-33(40)34-13-5-9-17-41(34)50;1-46-36-22-21-28(47-37-16-6-4-14-31(37)33-24-34-32-15-5-9-20-42(32)49-43(34)25-41(33)47)23-35(36)44-27(26-45)11-10-19-40(44)48-38-17-7-2-12-29(38)30-13-3-8-18-39(30)48/h2-30H;2*3-26H,1-2H3;2-25H.
What are the key properties of 2-[5-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-isocyanophenyl]-3-carbazol-9-ylbenzonitrile;4-carbazol-9-yl-3-[4-cyano-3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;2-(2-carbazol-9-yl-3-isocyanophenyl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-carbazol-9-ylphenyl)-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,3-dicarbonitrile?
2-[5-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-isocyanophenyl]-3-carbazol-9-ylbenzonitrile;4-carbazol-9-yl-3-[4-cyano-3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;2-(2-carbazol-9-yl-3-isocyanophenyl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-carbazol-9-ylphenyl)-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,3-dicarbonitrile has a molecular weight of 2642.16 g/mol, XLogP of 48.60, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-([1]benzothiolo[2,3-b]carbazol-7-yl)-2-isocyanophenyl]-3-carbazol-9-ylbenzonitrile;4-carbazol-9-yl-3-[4-cyano-3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzonitrile;2-(2-carbazol-9-yl-3-isocyanophenyl)-6-(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile;4-(2-carbazol-9-ylphenyl)-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 157495646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).