2-(9-methylcarbazol-3-yl)ethene-1,1,2-tricarbonitrile

C18H10N4 — CID 2827321

IUPAC2-(9-methylcarbazol-3-yl)ethene-1,1,2-tricarbonitrile
SMILESCn1c2ccccc2c2cc(C(C#N)=C(C#N)C#N)ccc21
InChIInChI=1S/C18H10N4/c1-22-17-5-3-2-4-14(17)15-8-12(6-7-18(15)22)16(11-21)13(9-19)10-20/h2-8H,1H3
InChIKeyMQCJLWQPQIPGMU-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.66
Rot. Bonds1

About 2-(9-methylcarbazol-3-yl)ethene-1,1,2-tricarbonitrile

2-(9-methylcarbazol-3-yl)ethene-1,1,2-tricarbonitrile (PubChem CID 2827321) has the molecular formula C18H10N4 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-(9-methylcarbazol-3-yl)ethene-1,1,2-tricarbonitrile.

Molecular Properties

Compound Name2-(9-methylcarbazol-3-yl)ethene-1,1,2-tricarbonitrile
PubChem CID2827321
Molecular FormulaC18H10N4
Molecular Weight282.31 g/mol
Exact Mass282.09
IUPAC Name2-(9-methylcarbazol-3-yl)ethene-1,1,2-tricarbonitrile
SMILESCn1c2ccccc2c2cc(C(C#N)=C(C#N)C#N)ccc21
InChIInChI=1S/C18H10N4/c1-22-17-5-3-2-4-14(17)15-8-12(6-7-18(15)22)16(11-21)13(9-19)10-20/h2-8H,1H3
InChIKeyMQCJLWQPQIPGMU-UHFFFAOYSA-N
XLogP3.66
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

N-[1-(9-methylcarbazol-2-yl)ethenyl]hydroxylamine
CID 5009933
ethane;bis(9-methylcarbazole)
CID 159710949
ethane;9-methylcarbazole;triphenylene
CID 142356751
ethane;9-methyl-3-(9-methylcarbazol-3-yl)carbazole
CID 158738351
16,20-dimethyl-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14(19),15,17,21,23-dodecaene
CID 164939565
9-(9-methylcarbazol-3-yl)carbazole-1,8-dicarbonitrile
CID 122501128
9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole
CID 135393502
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
2,3-bis[5-(9-methylcarbazol-2-yl)thiophen-2-yl]buta-1,3-diene-1,1,4,4-tetracarbonitrile
CID 132543255
2-[(4-carbazol-9-ylphenyl)-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]methylidene]propanedinitrile
CID 163829889
(Z)-but-2-ene;ethane;9-methylcarbazole;prop-1-ene
CID 144690725
1-(9-methylcarbazol-3-yl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 3123837

Frequently Asked Questions

What is the IUPAC name of 2-(9-methylcarbazol-3-yl)ethene-1,1,2-tricarbonitrile?
The IUPAC name of 2-(9-methylcarbazol-3-yl)ethene-1,1,2-tricarbonitrile (CID 2827321) is 2-(9-methylcarbazol-3-yl)ethene-1,1,2-tricarbonitrile.
What is the SMILES notation for 2-(9-methylcarbazol-3-yl)ethene-1,1,2-tricarbonitrile?
The canonical SMILES for 2-(9-methylcarbazol-3-yl)ethene-1,1,2-tricarbonitrile is Cn1c2ccccc2c2cc(C(C#N)=C(C#N)C#N)ccc21.
What is the InChIKey of 2-(9-methylcarbazol-3-yl)ethene-1,1,2-tricarbonitrile?
The InChIKey is MQCJLWQPQIPGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N4/c1-22-17-5-3-2-4-14(17)15-8-12(6-7-18(15)22)16(11-21)13(9-19)10-20/h2-8H,1H3.
What are the key properties of 2-(9-methylcarbazol-3-yl)ethene-1,1,2-tricarbonitrile?
2-(9-methylcarbazol-3-yl)ethene-1,1,2-tricarbonitrile has a molecular weight of 282.31 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methylcarbazol-3-yl)ethene-1,1,2-tricarbonitrile is sourced from PubChem (CID 2827321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).