4,5-di(carbazol-9-yl)-3-(12,12-dimethyl-9,10-dihydroindeno[2,1-a]carbazol-11-yl)-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,2-dicarbonitrile

C74H50N6 — CID 155064412

IUPAC4,5-di(carbazol-9-yl)-3-(12,12-dimethyl-9,10-dihydroindeno[2,1-a]carbazol-11-yl)-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,2-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2ccc3c4c(n(-c5c(C#N)c(C#N)c(-n6c7ccccc7c7ccc8c(c76)C(C)(C)c6ccccc6-8)c(-n6c7ccccc7c7ccccc76)c5-n5c6ccccc6c6ccccc65)c3c21)CCC=C4
InChIInChI=1S/C74H50N6/c1-73(2)57-29-13-5-21-43(57)51-37-39-53-49-27-11-19-35-63(49)79(67(53)65(51)73)69-55(41-75)56(42-76)70(80-64-36-20-12-28-50(64)54-40-38-52-44-22-6-14-30-58(44)74(3,4)66(52)68(54)80)72(78-61-33-17-9-25-47(61)48-26-10-18-34-62(48)78)71(69)77-59-31-15-7-23-45(59)46-24-8-16-32-60(46)77/h5-19,21-35,37-40H,20,36H2,1-4H3
InChIKeyBGLYAXCBUWKRNM-UHFFFAOYSA-N
MW1023.26 g/mol
LogP18.24
Rot. Bonds4

About 4,5-di(carbazol-9-yl)-3-(12,12-dimethyl-9,10-dihydroindeno[2,1-a]carbazol-11-yl)-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,2-dicarbonitrile

4,5-di(carbazol-9-yl)-3-(12,12-dimethyl-9,10-dihydroindeno[2,1-a]carbazol-11-yl)-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,2-dicarbonitrile (PubChem CID 155064412) has the molecular formula C74H50N6 and a molecular weight of 1023.26 g/mol. Its IUPAC name is 4,5-di(carbazol-9-yl)-3-(12,12-dimethyl-9,10-dihydroindeno[2,1-a]carbazol-11-yl)-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4,5-di(carbazol-9-yl)-3-(12,12-dimethyl-9,10-dihydroindeno[2,1-a]carbazol-11-yl)-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,2-dicarbonitrile
PubChem CID155064412
Molecular FormulaC74H50N6
Molecular Weight1023.26 g/mol
Exact Mass1022.41
IUPAC Name4,5-di(carbazol-9-yl)-3-(12,12-dimethyl-9,10-dihydroindeno[2,1-a]carbazol-11-yl)-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,2-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2ccc3c4c(n(-c5c(C#N)c(C#N)c(-n6c7ccccc7c7ccc8c(c76)C(C)(C)c6ccccc6-8)c(-n6c7ccccc7c7ccccc76)c5-n5c6ccccc6c6ccccc65)c3c21)CCC=C4
InChIInChI=1S/C74H50N6/c1-73(2)57-29-13-5-21-43(57)51-37-39-53-49-27-11-19-35-63(49)79(67(53)65(51)73)69-55(41-75)56(42-76)70(80-64-36-20-12-28-50(64)54-40-38-52-44-22-6-14-30-58(44)74(3,4)66(52)68(54)80)72(78-61-33-17-9-25-47(61)48-26-10-18-34-62(48)78)71(69)77-59-31-15-7-23-45(59)46-24-8-16-32-60(46)77/h5-19,21-35,37-40H,20,36H2,1-4H3
InChIKeyBGLYAXCBUWKRNM-UHFFFAOYSA-N
XLogP18.24
TPSA67.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001023.26
LogP ≤ 518.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,5-di(carbazol-9-yl)-3-(12,12-dimethyl-9,10-dihydroindeno[2,1-a]carbazol-11-yl)-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,2-dicarbonitrile with MolForge

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Related Compounds

4,5,6-tri(carbazol-9-yl)-2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile
CID 146325148
3,5-di(carbazol-9-yl)-4-(1,2-dihydrocarbazol-9-yl)-6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 146325221
2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile
CID 145009902
2-carbazol-9-yl-5-[2,5-dicyano-4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]benzene-1,4-dicarbonitrile
CID 129290887
2,5-di(carbazol-9-yl)-4,6-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(12,12-dimethylindeno[2,1-a]carbazol-11-yl)-3-isocyanobenzonitrile;2,5-di(carbazol-9-yl)-4,6-bis(11,11-dimethylindeno[1,2-b]carbazol-5-yl)-3-isocyanobenzonitrile
CID 162156345
3,4,5-tri(carbazol-9-yl)-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-isocyanobenzonitrile
CID 156680284
11-(6,7-dihydrodibenzofuran-4-yl)-12,12-dimethyl-8-(9-phenylcarbazol-3-yl)indeno[2,1-a]carbazole
CID 163491403
3,5-bis(3-tert-butylcarbazol-9-yl)-2,4-di(carbazol-9-yl)-6-(1,2-dihydrocarbazol-9-yl)benzonitrile
CID 163657279
4,7-bis(12,12-dimethyl-8-phenylindeno[2,1-a]carbazol-11-yl)-2,2-dimethyl-1,3-benzodioxole-5,6-dicarbonitrile
CID 122609866
3,4-di(carbazol-9-yl)-2,5-bis(12,12-diphenylindeno[2,1-a]carbazol-11-yl)-6-isocyanobenzonitrile
CID 156680254
3-(1,2-dihydrocarbazol-9-yl)-2-(7,7-dimethylfluoreno[2,3-b][1]benzothiol-3-yl)benzonitrile
CID 139565921
11-(4-fluoranthen-3-ylnaphthalen-1-yl)-12,12-dimethylindeno[2,1-a]carbazole
CID 118580626

Frequently Asked Questions

What is the IUPAC name of 4,5-di(carbazol-9-yl)-3-(12,12-dimethyl-9,10-dihydroindeno[2,1-a]carbazol-11-yl)-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,2-dicarbonitrile?
The IUPAC name of 4,5-di(carbazol-9-yl)-3-(12,12-dimethyl-9,10-dihydroindeno[2,1-a]carbazol-11-yl)-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,2-dicarbonitrile (CID 155064412) is 4,5-di(carbazol-9-yl)-3-(12,12-dimethyl-9,10-dihydroindeno[2,1-a]carbazol-11-yl)-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4,5-di(carbazol-9-yl)-3-(12,12-dimethyl-9,10-dihydroindeno[2,1-a]carbazol-11-yl)-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,2-dicarbonitrile?
The canonical SMILES for 4,5-di(carbazol-9-yl)-3-(12,12-dimethyl-9,10-dihydroindeno[2,1-a]carbazol-11-yl)-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,2-dicarbonitrile is CC1(C)c2ccccc2-c2ccc3c4c(n(-c5c(C#N)c(C#N)c(-n6c7ccccc7c7ccc8c(c76)C(C)(C)c6ccccc6-8)c(-n6c7ccccc7c7ccccc76)c5-n5c6ccccc6c6ccccc65)c3c21)CCC=C4.
What is the InChIKey of 4,5-di(carbazol-9-yl)-3-(12,12-dimethyl-9,10-dihydroindeno[2,1-a]carbazol-11-yl)-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,2-dicarbonitrile?
The InChIKey is BGLYAXCBUWKRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H50N6/c1-73(2)57-29-13-5-21-43(57)51-37-39-53-49-27-11-19-35-63(49)79(67(53)65(51)73)69-55(41-75)56(42-76)70(80-64-36-20-12-28-50(64)54-40-38-52-44-22-6-14-30-58(44)74(3,4)66(52)68(54)80)72(78-61-33-17-9-25-47(61)48-26-10-18-34-62(48)78)71(69)77-59-31-15-7-23-45(59)46-24-8-16-32-60(46)77/h5-19,21-35,37-40H,20,36H2,1-4H3.
What are the key properties of 4,5-di(carbazol-9-yl)-3-(12,12-dimethyl-9,10-dihydroindeno[2,1-a]carbazol-11-yl)-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,2-dicarbonitrile?
4,5-di(carbazol-9-yl)-3-(12,12-dimethyl-9,10-dihydroindeno[2,1-a]carbazol-11-yl)-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,2-dicarbonitrile has a molecular weight of 1023.26 g/mol, XLogP of 18.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-di(carbazol-9-yl)-3-(12,12-dimethyl-9,10-dihydroindeno[2,1-a]carbazol-11-yl)-6-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 155064412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).