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

C65H42N6 — CID 146325221

IUPAC3,5-di(carbazol-9-yl)-4-(1,2-dihydrocarbazol-9-yl)-6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4c(C#N)c(C#N)c(-n5c6ccccc6c6ccccc65)c(-n5c6c(c7ccccc75)C=CCC6)c4-n4c5ccccc5c5ccccc54)c3cc21
InChIInChI=1S/C65H42N6/c1-65(2)51-27-11-3-19-39(51)47-35-48-46-26-10-18-34-59(46)71(60(48)36-52(47)65)62-50(38-67)49(37-66)61(68-53-28-12-4-20-40(53)41-21-5-13-29-54(41)68)63(69-55-30-14-6-22-42(55)43-23-7-15-31-56(43)69)64(62)70-57-32-16-8-24-44(57)45-25-9-17-33-58(45)70/h3-14,16-30,32-36H,15,31H2,1-2H3
InChIKeyGGMDVJZFHPNDEO-UHFFFAOYSA-N
MW907.09 g/mol
LogP15.93
Rot. Bonds4

About 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

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 (PubChem CID 146325221) has the molecular formula C65H42N6 and a molecular weight of 907.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3,5-di(carbazol-9-yl)-4-(1,2-dihydrocarbazol-9-yl)-6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile
PubChem CID146325221
Molecular FormulaC65H42N6
Molecular Weight907.09 g/mol
Exact Mass906.35
IUPAC Name3,5-di(carbazol-9-yl)-4-(1,2-dihydrocarbazol-9-yl)-6-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4c(C#N)c(C#N)c(-n5c6ccccc6c6ccccc65)c(-n5c6c(c7ccccc75)C=CCC6)c4-n4c5ccccc5c5ccccc54)c3cc21
InChIInChI=1S/C65H42N6/c1-65(2)51-27-11-3-19-39(51)47-35-48-46-26-10-18-34-59(46)71(60(48)36-52(47)65)62-50(38-67)49(37-66)61(68-53-28-12-4-20-40(53)41-21-5-13-29-54(41)68)63(69-55-30-14-6-22-42(55)43-23-7-15-31-56(43)69)64(62)70-57-32-16-8-24-44(57)45-25-9-17-33-58(45)70/h3-14,16-30,32-36H,15,31H2,1-2H3
InChIKeyGGMDVJZFHPNDEO-UHFFFAOYSA-N
XLogP15.93
TPSA67.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500907.09
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
3,5-bis(3-tert-butylcarbazol-9-yl)-2,4-di(carbazol-9-yl)-6-(1,2-dihydrocarbazol-9-yl)benzonitrile
CID 163657279
2-carbazol-9-yl-5-(11,11,19,19-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),20,22,24-dodecaen-15-yl)benzene-1,4-dicarbonitrile
CID 121328841
2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-4,6-diphenylbenzene-1,3-dicarbonitrile
CID 118927771
11,15,19,19-tetramethyl-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2,4(12),5(10),6,13,16,18(26),20,22,24-undecaene
CID 145449440
3-(1,2-dihydrocarbazol-9-yl)-2-(7,7-dimethylfluoreno[2,3-b][1]benzothiol-3-yl)benzonitrile
CID 139565921
3,6-bis(4-cyanophenyl)-4,5-bis(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 167165436
17,17,34,34-tetramethyl-13,30-diphenyl-13,30-diazanonacyclo[18.14.0.03,18.04,16.06,14.07,12.021,33.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(12),8,14,18,21(33),22,24(29),25,31-tridecaene
CID 70919345
2,5-bis(4-cyanophenyl)-4,6-bis(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 164819642
4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 121329211
9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 146564352
2-(3-carbazol-9-yl-4-cyanophenyl)-3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 129300004

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4c(C#N)c(C#N)c(-n5c6ccccc6c6ccccc65)c(-n5c6c(c7ccccc75)C=CCC6)c4-n4c5ccccc5c5ccccc54)c3cc21.
What is the InChIKey of 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?
The InChIKey is GGMDVJZFHPNDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N6/c1-65(2)51-27-11-3-19-39(51)47-35-48-46-26-10-18-34-59(46)71(60(48)36-52(47)65)62-50(38-67)49(37-66)61(68-53-28-12-4-20-40(53)41-21-5-13-29-54(41)68)63(69-55-30-14-6-22-42(55)43-23-7-15-31-56(43)69)64(62)70-57-32-16-8-24-44(57)45-25-9-17-33-58(45)70/h3-14,16-30,32-36H,15,31H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 907.09 g/mol, XLogP of 15.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146325221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).