3,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(6-methyl-2-pyridinyl)benzonitrile

C69H56N4 — CID 155216625

IUPAC3,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(6-methyl-2-pyridinyl)benzonitrile
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5cc(C)cc(C)c5)cc4c4cc(-c5cc(C)cc(C)c5)ccc43)c2-c2cccc(C)n2)c1
InChIInChI=1S/C69H56N4/c1-40-21-41(2)26-54(25-40)50-13-17-63-58(35-50)59-36-51(55-27-42(3)22-43(4)28-55)14-18-64(59)72(63)67-33-49(39-70)34-68(69(67)62-12-10-11-48(9)71-62)73-65-19-15-52(56-29-44(5)23-45(6)30-56)37-60(65)61-38-53(16-20-66(61)73)57-31-46(7)24-47(8)32-57/h10-38H,1-9H3
InChIKeyRZDMOGIBLHHBMG-UHFFFAOYSA-N
MW941.23 g/mol
LogP18.26
Rot. Bonds7

About 3,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(6-methyl-2-pyridinyl)benzonitrile

3,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(6-methyl-2-pyridinyl)benzonitrile (PubChem CID 155216625) has the molecular formula C69H56N4 and a molecular weight of 941.23 g/mol. Its IUPAC name is 3,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(6-methyl-2-pyridinyl)benzonitrile.

Molecular Properties

Compound Name3,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(6-methyl-2-pyridinyl)benzonitrile
PubChem CID155216625
Molecular FormulaC69H56N4
Molecular Weight941.23 g/mol
Exact Mass940.45
IUPAC Name3,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(6-methyl-2-pyridinyl)benzonitrile
SMILESCc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5cc(C)cc(C)c5)cc4c4cc(-c5cc(C)cc(C)c5)ccc43)c2-c2cccc(C)n2)c1
InChIInChI=1S/C69H56N4/c1-40-21-41(2)26-54(25-40)50-13-17-63-58(35-50)59-36-51(55-27-42(3)22-43(4)28-55)14-18-64(59)72(63)67-33-49(39-70)34-68(69(67)62-12-10-11-48(9)71-62)73-65-19-15-52(56-29-44(5)23-45(6)30-56)37-60(65)61-38-53(16-20-66(61)73)57-31-46(7)24-47(8)32-57/h10-38H,1-9H3
InChIKeyRZDMOGIBLHHBMG-UHFFFAOYSA-N
XLogP18.26
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.23
LogP ≤ 518.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 146237910
3,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 142465868
4-[3,5-bis(trifluoromethyl)phenyl]-3,5-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 134300530
5-[9-[3-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-cyano-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 146847580
3,5-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 147296748
4-(3-cyanophenyl)-3,5-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 162083816
4-(3-cyano-5-methylphenyl)-3,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 159631677
3,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;3,5-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3,5-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3,5-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile;methane
CID 159637061
3,5-bis[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134321349
3,5-bis[3-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134296253
4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508097
3,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 161207738

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(6-methyl-2-pyridinyl)benzonitrile?
The IUPAC name of 3,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(6-methyl-2-pyridinyl)benzonitrile (CID 155216625) is 3,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(6-methyl-2-pyridinyl)benzonitrile.
What is the SMILES notation for 3,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(6-methyl-2-pyridinyl)benzonitrile?
The canonical SMILES for 3,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(6-methyl-2-pyridinyl)benzonitrile is Cc1cc(C)cc(-c2ccc3c(c2)c2cc(-c4cc(C)cc(C)c4)ccc2n3-c2cc(C#N)cc(-n3c4ccc(-c5cc(C)cc(C)c5)cc4c4cc(-c5cc(C)cc(C)c5)ccc43)c2-c2cccc(C)n2)c1.
What is the InChIKey of 3,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(6-methyl-2-pyridinyl)benzonitrile?
The InChIKey is RZDMOGIBLHHBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H56N4/c1-40-21-41(2)26-54(25-40)50-13-17-63-58(35-50)59-36-51(55-27-42(3)22-43(4)28-55)14-18-64(59)72(63)67-33-49(39-70)34-68(69(67)62-12-10-11-48(9)71-62)73-65-19-15-52(56-29-44(5)23-45(6)30-56)37-60(65)61-38-53(16-20-66(61)73)57-31-46(7)24-47(8)32-57/h10-38H,1-9H3.
What are the key properties of 3,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(6-methyl-2-pyridinyl)benzonitrile?
3,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(6-methyl-2-pyridinyl)benzonitrile has a molecular weight of 941.23 g/mol, XLogP of 18.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(6-methyl-2-pyridinyl)benzonitrile is sourced from PubChem (CID 155216625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).