3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methylbenzonitrile

C30H20N2 — CID 122435584

IUPAC3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1-c1cccc2c(-n3c4ccccc4c4ccccc43)cccc12
InChIInChI=1S/C30H20N2/c1-20-16-17-21(19-31)18-27(20)23-10-6-12-24-22(23)11-7-15-30(24)32-28-13-4-2-8-25(28)26-9-3-5-14-29(26)32/h2-18H,1H3
InChIKeyOXANTMCGCRMVNN-UHFFFAOYSA-N
MW408.50 g/mol
LogP7.78
Rot. Bonds2

About 3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methylbenzonitrile

3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methylbenzonitrile (PubChem CID 122435584) has the molecular formula C30H20N2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methylbenzonitrile.

Molecular Properties

Compound Name3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methylbenzonitrile
PubChem CID122435584
Molecular FormulaC30H20N2
Molecular Weight408.50 g/mol
Exact Mass408.16
IUPAC Name3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methylbenzonitrile
SMILESCc1ccc(C#N)cc1-c1cccc2c(-n3c4ccccc4c4ccccc43)cccc12
InChIInChI=1S/C30H20N2/c1-20-16-17-21(19-31)18-27(20)23-10-6-12-24-22(23)11-7-15-30(24)32-28-13-4-2-8-25(28)26-9-3-5-14-29(26)32/h2-18H,1H3
InChIKeyOXANTMCGCRMVNN-UHFFFAOYSA-N
XLogP7.78
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-3-[2-[3-(2-carbazol-9-ylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 164743889
9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile
CID 154958354
9-[2-[4-methyl-3-[4-(4-methylcarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-3-carbonitrile
CID 163806993
9-[2-[2-(3-carbazol-9-yl-2-cyanophenyl)phenyl]phenyl]carbazole-2,6-dicarbonitrile
CID 155081146
9-(6-carbazol-9-yldibenzofuran-4-yl)carbazole-3-carbonitrile
CID 134337735
9-[3-[2-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 154958508
9-[2-(2-carbazol-9-ylphenyl)phenyl]-6-isocyanocarbazole-3-carbonitrile
CID 159259962
2-carbazol-9-yl-5-[2-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile
CID 155080582
2-carbazol-9-yl-6-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]benzonitrile
CID 155079829
9-[9-[2-(4-cyanophenyl)phenyl]carbazol-3-yl]carbazole-3-carbonitrile
CID 164957038
9-[3-[3-(2-carbazol-9-yl-4-cyanophenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 167280274
2-(2-carbazol-9-yl-5-cyanophenyl)-6-(4-carbazol-9-ylphenyl)benzonitrile
CID 155080419

Frequently Asked Questions

What is the IUPAC name of 3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methylbenzonitrile?
The IUPAC name of 3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methylbenzonitrile (CID 122435584) is 3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methylbenzonitrile.
What is the SMILES notation for 3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methylbenzonitrile?
The canonical SMILES for 3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methylbenzonitrile is Cc1ccc(C#N)cc1-c1cccc2c(-n3c4ccccc4c4ccccc43)cccc12.
What is the InChIKey of 3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methylbenzonitrile?
The InChIKey is OXANTMCGCRMVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N2/c1-20-16-17-21(19-31)18-27(20)23-10-6-12-24-22(23)11-7-15-30(24)32-28-13-4-2-8-25(28)26-9-3-5-14-29(26)32/h2-18H,1H3.
What are the key properties of 3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methylbenzonitrile?
3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methylbenzonitrile has a molecular weight of 408.50 g/mol, XLogP of 7.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-carbazol-9-ylnaphthalen-1-yl)-4-methylbenzonitrile is sourced from PubChem (CID 122435584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).