9-(9-methylcarbazol-3-yl)carbazole-1,8-dicarbonitrile

C27H16N4 — CID 122501128

IUPAC9-(9-methylcarbazol-3-yl)carbazole-1,8-dicarbonitrile
SMILESCn1c2ccccc2c2cc(-n3c4c(C#N)cccc4c4cccc(C#N)c43)ccc21
InChIInChI=1S/C27H16N4/c1-30-24-11-3-2-8-20(24)23-14-19(12-13-25(23)30)31-26-17(15-28)6-4-9-21(26)22-10-5-7-18(16-29)27(22)31/h2-14H,1H3
InChIKeyPLVUJZFXDAAZPF-UHFFFAOYSA-N
MW396.45 g/mol
LogP6.17
Rot. Bonds1

About 9-(9-methylcarbazol-3-yl)carbazole-1,8-dicarbonitrile

9-(9-methylcarbazol-3-yl)carbazole-1,8-dicarbonitrile (PubChem CID 122501128) has the molecular formula C27H16N4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 9-(9-methylcarbazol-3-yl)carbazole-1,8-dicarbonitrile.

Molecular Properties

Compound Name9-(9-methylcarbazol-3-yl)carbazole-1,8-dicarbonitrile
PubChem CID122501128
Molecular FormulaC27H16N4
Molecular Weight396.45 g/mol
Exact Mass396.14
IUPAC Name9-(9-methylcarbazol-3-yl)carbazole-1,8-dicarbonitrile
SMILESCn1c2ccccc2c2cc(-n3c4c(C#N)cccc4c4cccc(C#N)c43)ccc21
InChIInChI=1S/C27H16N4/c1-30-24-11-3-2-8-20(24)23-14-19(12-13-25(23)30)31-26-17(15-28)6-4-9-21(26)22-10-5-7-18(16-29)27(22)31/h2-14H,1H3
InChIKeyPLVUJZFXDAAZPF-UHFFFAOYSA-N
XLogP6.17
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(9-methylcarbazol-3-yl)carbazole-1,6-dicarbonitrile
CID 122501086
9-[4-[3-(3-carbazol-9-ylcarbazol-9-yl)-4-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 153117402
5,12-diphenyl-2-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-c]carbazole-11-carbonitrile
CID 134598060
9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile
CID 134597735
9-(9-dibenzofuran-4-ylcarbazol-3-yl)carbazole-1-carbonitrile
CID 118396693
9-methylcarbazole-1,6-dicarbonitrile
CID 122501071
9-(6-cyanodibenzofuran-2-yl)carbazole-1-carbonitrile
CID 122498876
5-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]benzonitrile
CID 138735931
9-methyl-6-[3-(4-phenylphenyl)phenyl]carbazole-1-carbonitrile
CID 118330101
6-carbazol-9-yl-9-phenylcarbazole-4-carbonitrile
CID 134597730
9-[2-[3-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-1-carbonitrile
CID 154959166
9-[5,10-di(carbazol-9-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-13-yl]carbazole-1,8-dicarbonitrile
CID 156881592

Frequently Asked Questions

What is the IUPAC name of 9-(9-methylcarbazol-3-yl)carbazole-1,8-dicarbonitrile?
The IUPAC name of 9-(9-methylcarbazol-3-yl)carbazole-1,8-dicarbonitrile (CID 122501128) is 9-(9-methylcarbazol-3-yl)carbazole-1,8-dicarbonitrile.
What is the SMILES notation for 9-(9-methylcarbazol-3-yl)carbazole-1,8-dicarbonitrile?
The canonical SMILES for 9-(9-methylcarbazol-3-yl)carbazole-1,8-dicarbonitrile is Cn1c2ccccc2c2cc(-n3c4c(C#N)cccc4c4cccc(C#N)c43)ccc21.
What is the InChIKey of 9-(9-methylcarbazol-3-yl)carbazole-1,8-dicarbonitrile?
The InChIKey is PLVUJZFXDAAZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16N4/c1-30-24-11-3-2-8-20(24)23-14-19(12-13-25(23)30)31-26-17(15-28)6-4-9-21(26)22-10-5-7-18(16-29)27(22)31/h2-14H,1H3.
What are the key properties of 9-(9-methylcarbazol-3-yl)carbazole-1,8-dicarbonitrile?
9-(9-methylcarbazol-3-yl)carbazole-1,8-dicarbonitrile has a molecular weight of 396.45 g/mol, XLogP of 6.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9-methylcarbazol-3-yl)carbazole-1,8-dicarbonitrile is sourced from PubChem (CID 122501128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).