2,5-bis[4-(dimethylamino)-2,6-dimethylphenyl]-3,6-dimethylbenzene-1,4-dicarbonitrile

C30H34N4 — CID 123628478

IUPAC2,5-bis[4-(dimethylamino)-2,6-dimethylphenyl]-3,6-dimethylbenzene-1,4-dicarbonitrile
SMILESCc1cc(N(C)C)cc(C)c1-c1c(C)c(C#N)c(-c2c(C)cc(N(C)C)cc2C)c(C)c1C#N
InChIInChI=1S/C30H34N4/c1-17-11-23(33(7)8)12-18(2)27(17)29-21(5)26(16-32)30(22(6)25(29)15-31)28-19(3)13-24(34(9)10)14-20(28)4/h11-14H,1-10H3
InChIKeyWERGPMUZEFPZBL-UHFFFAOYSA-N
MW450.63 g/mol
LogP6.75
Rot. Bonds4

About 2,5-bis[4-(dimethylamino)-2,6-dimethylphenyl]-3,6-dimethylbenzene-1,4-dicarbonitrile

2,5-bis[4-(dimethylamino)-2,6-dimethylphenyl]-3,6-dimethylbenzene-1,4-dicarbonitrile (PubChem CID 123628478) has the molecular formula C30H34N4 and a molecular weight of 450.63 g/mol. Its IUPAC name is 2,5-bis[4-(dimethylamino)-2,6-dimethylphenyl]-3,6-dimethylbenzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2,5-bis[4-(dimethylamino)-2,6-dimethylphenyl]-3,6-dimethylbenzene-1,4-dicarbonitrile
PubChem CID123628478
Molecular FormulaC30H34N4
Molecular Weight450.63 g/mol
Exact Mass450.28
IUPAC Name2,5-bis[4-(dimethylamino)-2,6-dimethylphenyl]-3,6-dimethylbenzene-1,4-dicarbonitrile
SMILESCc1cc(N(C)C)cc(C)c1-c1c(C)c(C#N)c(-c2c(C)cc(N(C)C)cc2C)c(C)c1C#N
InChIInChI=1S/C30H34N4/c1-17-11-23(33(7)8)12-18(2)27(17)29-21(5)26(16-32)30(22(6)25(29)15-31)28-19(3)13-24(34(9)10)14-20(28)4/h11-14H,1-10H3
InChIKeyWERGPMUZEFPZBL-UHFFFAOYSA-N
XLogP6.75
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.63
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;2-(4-cyano-2,3,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;2,3,4,5-tetramethyl-6-(2,3,4,5,6-pentamethylphenyl)benzonitrile;2,3,4,6-tetramethyl-5-(2,3,4,5,6-pentamethylphenyl)benzonitrile;2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzonitrile;4,5,6-trimethyl-2-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile
CID 158113945
2-(2-cyano-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile;bis(2-(3-cyano-2,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzonitrile);bis(3-(3-cyano-2,4,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile);3-(4-cyano-2,3,5,6-tetramethylphenyl)-2,4,5,6-tetramethylbenzonitrile;2,3,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile
CID 161179009
1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene;2,3,4,5-tetramethyl-6-(2,3,4,5,6-pentamethylphenyl)benzonitrile;2,3,4,6-tetramethyl-5-(2,3,4,5,6-pentamethylphenyl)benzonitrile;2,3,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,4-dicarbonitrile;2,4,5-trimethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile;2,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,3-dicarbonitrile;bis(3,4,6-trimethyl-5-(2,3,4,5,6-pentamethylphenyl)benzene-1,2-dicarbonitrile)
CID 161284975
zinc;4-(dimethylamino)-2,6-dimethylbenzenediazonium;trichloride
CID 173417250
4-[4-[bis(prop-2-enyl)amino]-2,6-dimethylphenyl]-3,5-dimethyl-N,N-bis(prop-2-enyl)aniline
CID 11188795
methyl 5-(dimethylamino)-2-[4-(dimethylamino)-2-methyl-6-(2-oxoethenyl)phenyl]-3-methylbenzoate;hydrate
CID 90712188
3,6-dimethylbenzene-1,2,4-tricarbonitrile
CID 12732461
6-amino-2-(dimethylamino)-4-methylpyridine-3-carbonitrile
CID 126752195
N,N,3,4-tetramethylaniline
CID 12595466
1,6,7,10-tetramethylfluoranthene-8,9-dicarbonitrile
CID 139203251
4-[4-(dimethylamino)-2-diphenylphosphanyl-6-methylphenyl]-3-diphenylphosphanyl-N,N,5-trimethylaniline
CID 14113209
4,6-bis[4-(dimethylamino)phenyl]-2-methylpyridine-3-carbonitrile
CID 15133245

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[4-(dimethylamino)-2,6-dimethylphenyl]-3,6-dimethylbenzene-1,4-dicarbonitrile?
The IUPAC name of 2,5-bis[4-(dimethylamino)-2,6-dimethylphenyl]-3,6-dimethylbenzene-1,4-dicarbonitrile (CID 123628478) is 2,5-bis[4-(dimethylamino)-2,6-dimethylphenyl]-3,6-dimethylbenzene-1,4-dicarbonitrile.
What is the SMILES notation for 2,5-bis[4-(dimethylamino)-2,6-dimethylphenyl]-3,6-dimethylbenzene-1,4-dicarbonitrile?
The canonical SMILES for 2,5-bis[4-(dimethylamino)-2,6-dimethylphenyl]-3,6-dimethylbenzene-1,4-dicarbonitrile is Cc1cc(N(C)C)cc(C)c1-c1c(C)c(C#N)c(-c2c(C)cc(N(C)C)cc2C)c(C)c1C#N.
What is the InChIKey of 2,5-bis[4-(dimethylamino)-2,6-dimethylphenyl]-3,6-dimethylbenzene-1,4-dicarbonitrile?
The InChIKey is WERGPMUZEFPZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4/c1-17-11-23(33(7)8)12-18(2)27(17)29-21(5)26(16-32)30(22(6)25(29)15-31)28-19(3)13-24(34(9)10)14-20(28)4/h11-14H,1-10H3.
What are the key properties of 2,5-bis[4-(dimethylamino)-2,6-dimethylphenyl]-3,6-dimethylbenzene-1,4-dicarbonitrile?
2,5-bis[4-(dimethylamino)-2,6-dimethylphenyl]-3,6-dimethylbenzene-1,4-dicarbonitrile has a molecular weight of 450.63 g/mol, XLogP of 6.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[4-(dimethylamino)-2,6-dimethylphenyl]-3,6-dimethylbenzene-1,4-dicarbonitrile is sourced from PubChem (CID 123628478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).