9-methylcarbazole-1,6-dicarbonitrile

C15H9N3 — CID 122501071

IUPAC9-methylcarbazole-1,6-dicarbonitrile
SMILESCn1c2ccc(C#N)cc2c2cccc(C#N)c21
InChIInChI=1S/C15H9N3/c1-18-14-6-5-10(8-16)7-13(14)12-4-2-3-11(9-17)15(12)18/h2-7H,1H3
InChIKeyNZSBXCNFZPPEMQ-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.07
Rot. Bonds

About 9-methylcarbazole-1,6-dicarbonitrile

9-methylcarbazole-1,6-dicarbonitrile (PubChem CID 122501071) has the molecular formula C15H9N3 and a molecular weight of 231.26 g/mol. Its IUPAC name is 9-methylcarbazole-1,6-dicarbonitrile.

Molecular Properties

Compound Name9-methylcarbazole-1,6-dicarbonitrile
PubChem CID122501071
Molecular FormulaC15H9N3
Molecular Weight231.26 g/mol
Exact Mass231.08
IUPAC Name9-methylcarbazole-1,6-dicarbonitrile
SMILESCn1c2ccc(C#N)cc2c2cccc(C#N)c21
InChIInChI=1S/C15H9N3/c1-18-14-6-5-10(8-16)7-13(14)12-4-2-3-11(9-17)15(12)18/h2-7H,1H3
InChIKeyNZSBXCNFZPPEMQ-UHFFFAOYSA-N
XLogP3.07
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(9-methylcarbazol-3-yl)carbazole-1,6-dicarbonitrile
CID 122501086
9-methyl-6-[3-(4-phenylphenyl)phenyl]carbazole-1-carbonitrile
CID 118330101
9-(9-methylcarbazol-3-yl)carbazole-1,8-dicarbonitrile
CID 122501128
2,14,26-triazadecacyclo[24.10.1.12,9.114,21.03,8.015,20.027,32.033,37.013,39.025,38]nonatriaconta-1(36),3(8),4,6,9(39),10,12,15,17,19,21(38),22,24,27,29,31,33(37),34-octadecaene-6-carbonitrile
CID 162480597
6-(9,9-dimethylfluoren-2-yl)-9-methylcarbazole-1-carbonitrile
CID 118331718
9-(4-cyanophenyl)-8-[9-(2-cyanophenyl)carbazol-1-yl]carbazole-3-carbonitrile
CID 139351913
9-[4-[4-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155081620
9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 154958136
9-[4-[2-[3-cyano-2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155080563
9-[2-cyano-5-[3-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1-carbonitrile
CID 155603815
9-[2-[3-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155080093
9-[2-[2-(4-carbazol-9-ylphenyl)phenyl]-3-cyanophenyl]carbazole-1,6-dicarbonitrile
CID 155079745

Frequently Asked Questions

What is the IUPAC name of 9-methylcarbazole-1,6-dicarbonitrile?
The IUPAC name of 9-methylcarbazole-1,6-dicarbonitrile (CID 122501071) is 9-methylcarbazole-1,6-dicarbonitrile.
What is the SMILES notation for 9-methylcarbazole-1,6-dicarbonitrile?
The canonical SMILES for 9-methylcarbazole-1,6-dicarbonitrile is Cn1c2ccc(C#N)cc2c2cccc(C#N)c21.
What is the InChIKey of 9-methylcarbazole-1,6-dicarbonitrile?
The InChIKey is NZSBXCNFZPPEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3/c1-18-14-6-5-10(8-16)7-13(14)12-4-2-3-11(9-17)15(12)18/h2-7H,1H3.
What are the key properties of 9-methylcarbazole-1,6-dicarbonitrile?
9-methylcarbazole-1,6-dicarbonitrile has a molecular weight of 231.26 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylcarbazole-1,6-dicarbonitrile is sourced from PubChem (CID 122501071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).