4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,3-dicarbonitrile

C41H26N4 — CID 121329211

IUPAC4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,3-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(C#N)cc(C#N)c4-n4c5ccccc5c5ccccc54)c3cc21
InChIInChI=1S/C41H26N4/c1-41(2)33-15-7-3-11-27(33)31-21-32-30-14-6-8-16-35(30)44(38(32)22-34(31)41)39-20-25(23-42)19-26(24-43)40(39)45-36-17-9-4-12-28(36)29-13-5-10-18-37(29)45/h3-22H,1-2H3
InChIKeyZMKDJQBASZJNSA-UHFFFAOYSA-N
MW574.69 g/mol
LogP9.93
Rot. Bonds2

About 4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,3-dicarbonitrile

4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,3-dicarbonitrile (PubChem CID 121329211) has the molecular formula C41H26N4 and a molecular weight of 574.69 g/mol. Its IUPAC name is 4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,3-dicarbonitrile
PubChem CID121329211
Molecular FormulaC41H26N4
Molecular Weight574.69 g/mol
Exact Mass574.22
IUPAC Name4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,3-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(C#N)cc(C#N)c4-n4c5ccccc5c5ccccc54)c3cc21
InChIInChI=1S/C41H26N4/c1-41(2)33-15-7-3-11-27(33)31-21-32-30-14-6-8-16-35(30)44(38(32)22-34(31)41)39-20-25(23-42)19-26(24-43)40(39)45-36-17-9-4-12-28(36)29-13-5-10-18-37(29)45/h3-22H,1-2H3
InChIKeyZMKDJQBASZJNSA-UHFFFAOYSA-N
XLogP9.93
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.69
LogP ≤ 59.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-carbazol-9-yl-5-isocyano-4-(11,11,25,25-tetramethyl-15-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),2,4(12),5,7,9,13,16,18(26),19,21,23-dodecaen-15-yl)benzonitrile
CID 153462312
3-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-4-isocyanobenzonitrile
CID 153462160
3,6-bis(4-cyanophenyl)-4,5-bis(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 167165436
4-carbazol-9-yl-3-[5-cyano-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile
CID 129300013
2-(3-carbazol-9-yl-4-cyanophenyl)-3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 129300004
2,5-bis(4-cyanophenyl)-4,6-bis(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,3-dicarbonitrile
CID 164819642
5-methyl-4-(1-methylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]-5'-yl)benzene-1,3-dicarbonitrile
CID 123840962
2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-4,6-diphenylbenzene-1,3-dicarbonitrile
CID 118927771
2-([1]benzothiolo[2,3-b]carbazol-7-yl)-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 146602380
5-tert-butyl-2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-3-isocyanobenzonitrile
CID 140704996
3-carbazol-9-yl-5-[3-cyano-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile
CID 168783318

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,3-dicarbonitrile (CID 121329211) is 4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,3-dicarbonitrile is CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(C#N)cc(C#N)c4-n4c5ccccc5c5ccccc54)c3cc21.
What is the InChIKey of 4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,3-dicarbonitrile?
The InChIKey is ZMKDJQBASZJNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26N4/c1-41(2)33-15-7-3-11-27(33)31-21-32-30-14-6-8-16-35(30)44(38(32)22-34(31)41)39-20-25(23-42)19-26(24-43)40(39)45-36-17-9-4-12-28(36)29-13-5-10-18-37(29)45/h3-22H,1-2H3.
What are the key properties of 4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,3-dicarbonitrile?
4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,3-dicarbonitrile has a molecular weight of 574.69 g/mol, XLogP of 9.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-5-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 121329211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).