5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile

C41H33N3 — CID 138565580

IUPAC5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile
SMILESCc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5C)cc4n(-c4cc(C#N)c(-c5ccncc5)cc4C)c3c2)c(C)c1
InChIInChI=1S/C41H33N3/c1-25-6-10-34(27(3)18-25)31-8-12-36-37-13-9-32(35-11-7-26(2)19-28(35)4)22-41(37)44(40(36)21-31)39-23-33(24-42)38(20-29(39)5)30-14-16-43-17-15-30/h6-23H,1-5H3
InChIKeyAQEHWPKKJAFRSJ-UHFFFAOYSA-N
MW567.74 g/mol
LogP10.59
Rot. Bonds4

About 5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile

5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile (PubChem CID 138565580) has the molecular formula C41H33N3 and a molecular weight of 567.74 g/mol. Its IUPAC name is 5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile
PubChem CID138565580
Molecular FormulaC41H33N3
Molecular Weight567.74 g/mol
Exact Mass567.27
IUPAC Name5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile
SMILESCc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5C)cc4n(-c4cc(C#N)c(-c5ccncc5)cc4C)c3c2)c(C)c1
InChIInChI=1S/C41H33N3/c1-25-6-10-34(27(3)18-25)31-8-12-36-37-13-9-32(35-11-7-26(2)19-28(35)4)22-41(37)44(40(36)21-31)39-23-33(24-42)38(20-29(39)5)30-14-16-43-17-15-30/h6-23H,1-5H3
InChIKeyAQEHWPKKJAFRSJ-UHFFFAOYSA-N
XLogP10.59
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.74
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 146617377
4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-methyl-2-pyridin-4-ylbenzonitrile
CID 138565529
4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134302157
4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134296295
5-methyl-4-[2-(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 138565570
5-[2-(2-methylphenyl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile
CID 138566479
9-[2-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-isocyano-5-pyridin-4-ylphenyl]-2,7-bis(2,4-dimethylphenyl)carbazole
CID 153494743
3-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508053
2,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134292609
5-methyl-4-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 138566079
4,5-bis[2,7-bis[2,4-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134302160
4,5-bis[2-(2-cyanophenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134292618

Frequently Asked Questions

What is the IUPAC name of 5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile?
The IUPAC name of 5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile (CID 138565580) is 5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile?
The canonical SMILES for 5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile is Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5C)cc4n(-c4cc(C#N)c(-c5ccncc5)cc4C)c3c2)c(C)c1.
What is the InChIKey of 5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile?
The InChIKey is AQEHWPKKJAFRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33N3/c1-25-6-10-34(27(3)18-25)31-8-12-36-37-13-9-32(35-11-7-26(2)19-28(35)4)22-41(37)44(40(36)21-31)39-23-33(24-42)38(20-29(39)5)30-14-16-43-17-15-30/h6-23H,1-5H3.
What are the key properties of 5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile?
5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile has a molecular weight of 567.74 g/mol, XLogP of 10.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 138565580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).