2,3-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzene-1,4-dicarbonitrile

C50H34N4 — CID 166572299

IUPAC2,3-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzene-1,4-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3c(C#N)ccc(C#N)c3-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C5(C)C)c21
InChIInChI=1S/C50H34N4/c1-49(2)37-17-9-5-15-35(37)43-39(49)25-23-33-31-13-7-11-19-41(31)53(47(33)43)45-29(27-51)21-22-30(28-52)46(45)54-42-20-12-8-14-32(42)34-24-26-40-44(48(34)54)36-16-6-10-18-38(36)50(40,3)4/h5-26H,1-4H3
InChIKeyWMIAHYSNRJBHJM-UHFFFAOYSA-N
MW690.85 g/mol
LogP12.24
Rot. Bonds2

About 2,3-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzene-1,4-dicarbonitrile

2,3-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzene-1,4-dicarbonitrile (PubChem CID 166572299) has the molecular formula C50H34N4 and a molecular weight of 690.85 g/mol. Its IUPAC name is 2,3-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2,3-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzene-1,4-dicarbonitrile
PubChem CID166572299
Molecular FormulaC50H34N4
Molecular Weight690.85 g/mol
Exact Mass690.28
IUPAC Name2,3-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzene-1,4-dicarbonitrile
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3c(C#N)ccc(C#N)c3-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C5(C)C)c21
InChIInChI=1S/C50H34N4/c1-49(2)37-17-9-5-15-35(37)43-39(49)25-23-33-31-13-7-11-19-41(31)53(47(33)43)45-29(27-51)21-22-30(28-52)46(45)54-42-20-12-8-14-32(42)34-24-26-40-44(48(34)54)36-16-6-10-18-38(36)50(40,3)4/h5-26H,1-4H3
InChIKeyWMIAHYSNRJBHJM-UHFFFAOYSA-N
XLogP12.24
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)benzene-1,3-dicarbonitrile
CID 145009902
7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole
CID 90441170
2,5-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572398
3-carbazol-9-yl-5-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]benzonitrile
CID 129290965
7,7-dimethyl-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indeno[1,2-a]carbazole
CID 130209444
3-(3-carbazol-9-yl-5-cyanophenyl)-4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzonitrile
CID 129299851
3,4,5-tri(carbazol-9-yl)-6-(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)benzene-1,2-dicarbonitrile
CID 146325220
12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 118502376
5-benzo[c]carbazol-7-yl-2-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-4-isocyanobenzonitrile
CID 153462649
3-(4-carbazol-9-yl-2-cyanophenyl)-6-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)-2-isocyanobenzonitrile
CID 140794194
4,6-bis(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 166572322
12-dibenzofuran-3-yl-7,7-dimethylindeno[1,2-a]carbazole
CID 118502345

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzene-1,4-dicarbonitrile?
The IUPAC name of 2,3-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzene-1,4-dicarbonitrile (CID 166572299) is 2,3-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2,3-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzene-1,4-dicarbonitrile?
The canonical SMILES for 2,3-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzene-1,4-dicarbonitrile is CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3c(C#N)ccc(C#N)c3-n3c4ccccc4c4ccc5c(c43)-c3ccccc3C5(C)C)c21.
What is the InChIKey of 2,3-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzene-1,4-dicarbonitrile?
The InChIKey is WMIAHYSNRJBHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4/c1-49(2)37-17-9-5-15-35(37)43-39(49)25-23-33-31-13-7-11-19-41(31)53(47(33)43)45-29(27-51)21-22-30(28-52)46(45)54-42-20-12-8-14-32(42)34-24-26-40-44(48(34)54)36-16-6-10-18-38(36)50(40,3)4/h5-26H,1-4H3.
What are the key properties of 2,3-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzene-1,4-dicarbonitrile?
2,3-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzene-1,4-dicarbonitrile has a molecular weight of 690.85 g/mol, XLogP of 12.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzene-1,4-dicarbonitrile is sourced from PubChem (CID 166572299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).