5-[3-cyano-4-(3,6-dimethylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile

C26H17N5 — CID 174343626

IUPAC5-[3-cyano-4-(3,6-dimethylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cnc(C#N)nc2)cc1C#N
InChIInChI=1S/C26H17N5/c1-16-3-6-24-21(9-16)22-10-17(2)4-7-25(22)31(24)23-8-5-18(11-19(23)12-27)20-14-29-26(13-28)30-15-20/h3-11,14-15H,1-2H3
InChIKeyHPZSLLQSSZAZPO-UHFFFAOYSA-N
MW399.46 g/mol
LogP5.60
Rot. Bonds2

About 5-[3-cyano-4-(3,6-dimethylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile

5-[3-cyano-4-(3,6-dimethylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile (PubChem CID 174343626) has the molecular formula C26H17N5 and a molecular weight of 399.46 g/mol. Its IUPAC name is 5-[3-cyano-4-(3,6-dimethylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-cyano-4-(3,6-dimethylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile
PubChem CID174343626
Molecular FormulaC26H17N5
Molecular Weight399.46 g/mol
Exact Mass399.15
IUPAC Name5-[3-cyano-4-(3,6-dimethylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cnc(C#N)nc2)cc1C#N
InChIInChI=1S/C26H17N5/c1-16-3-6-24-21(9-16)22-10-17(2)4-7-25(22)31(24)23-8-5-18(11-19(23)12-27)20-14-29-26(13-28)30-15-20/h3-11,14-15H,1-2H3
InChIKeyHPZSLLQSSZAZPO-UHFFFAOYSA-N
XLogP5.60
TPSA78.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.46
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-3-cyanophenyl]pyrimidine-2-carbonitrile
CID 174343939
5-[3-cyano-4-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]pyrimidine-2-carbonitrile
CID 174343888
5-[4-[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-cyanophenyl]pyrimidine-2-carbonitrile
CID 165401521
5-[3-cyano-4-[2-(3,5-dimethylphenyl)carbazol-9-yl]phenyl]pyrimidine-2-carbonitrile
CID 174343894
5-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-cyanophenyl]pyrimidine-2-carbonitrile
CID 174343958
2-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 175004217
4-[3,5-bis[2-(3,6-dimethylcarbazol-9-yl)phenyl]-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759106
2-[4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-cyanophenyl]pyrimidine-5-carbonitrile
CID 171739726
4-[3-[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-cyanophenyl]-2-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 160559431
4-[3,5-bis[2-(3-methylcarbazol-9-yl)phenyl]-2,6-diphenyl-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759184
2-[3-(5-cyanopyrimidin-2-yl)-4-[3-(2,4-dimethylphenyl)carbazol-9-yl]phenyl]pyrimidine-5-carbonitrile
CID 171607162
4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759136

Frequently Asked Questions

What is the IUPAC name of 5-[3-cyano-4-(3,6-dimethylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile?
The IUPAC name of 5-[3-cyano-4-(3,6-dimethylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile (CID 174343626) is 5-[3-cyano-4-(3,6-dimethylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile.
What is the SMILES notation for 5-[3-cyano-4-(3,6-dimethylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile?
The canonical SMILES for 5-[3-cyano-4-(3,6-dimethylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-c2cnc(C#N)nc2)cc1C#N.
What is the InChIKey of 5-[3-cyano-4-(3,6-dimethylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile?
The InChIKey is HPZSLLQSSZAZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17N5/c1-16-3-6-24-21(9-16)22-10-17(2)4-7-25(22)31(24)23-8-5-18(11-19(23)12-27)20-14-29-26(13-28)30-15-20/h3-11,14-15H,1-2H3.
What are the key properties of 5-[3-cyano-4-(3,6-dimethylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile?
5-[3-cyano-4-(3,6-dimethylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile has a molecular weight of 399.46 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyano-4-(3,6-dimethylcarbazol-9-yl)phenyl]pyrimidine-2-carbonitrile is sourced from PubChem (CID 174343626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).