6,7-dimethyl-3-naphthalen-1-ylnaphthalene-2-carbonitrile

C23H17N — CID 102235920

IUPAC6,7-dimethyl-3-naphthalen-1-ylnaphthalene-2-carbonitrile
SMILESCc1cc2cc(C#N)c(-c3cccc4ccccc34)cc2cc1C
InChIInChI=1S/C23H17N/c1-15-10-18-12-20(14-24)23(13-19(18)11-16(15)2)22-9-5-7-17-6-3-4-8-21(17)22/h3-13H,1-2H3
InChIKeyVXTDQYYFADBXFZ-UHFFFAOYSA-N
MW307.40 g/mol
LogP6.15
Rot. Bonds1

About 6,7-dimethyl-3-naphthalen-1-ylnaphthalene-2-carbonitrile

6,7-dimethyl-3-naphthalen-1-ylnaphthalene-2-carbonitrile (PubChem CID 102235920) has the molecular formula C23H17N and a molecular weight of 307.40 g/mol. Its IUPAC name is 6,7-dimethyl-3-naphthalen-1-ylnaphthalene-2-carbonitrile.

Molecular Properties

Compound Name6,7-dimethyl-3-naphthalen-1-ylnaphthalene-2-carbonitrile
PubChem CID102235920
Molecular FormulaC23H17N
Molecular Weight307.40 g/mol
Exact Mass307.14
IUPAC Name6,7-dimethyl-3-naphthalen-1-ylnaphthalene-2-carbonitrile
SMILESCc1cc2cc(C#N)c(-c3cccc4ccccc34)cc2cc1C
InChIInChI=1S/C23H17N/c1-15-10-18-12-20(14-24)23(13-19(18)11-16(15)2)22-9-5-7-17-6-3-4-8-21(17)22/h3-13H,1-2H3
InChIKeyVXTDQYYFADBXFZ-UHFFFAOYSA-N
XLogP6.15
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.40
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methylnaphthalen-1-yl)benzonitrile
CID 15858394
3-naphthalen-1-ylpyridine-4-carbonitrile
CID 45123369
1-(2-fluoro-3-methylphenyl)naphthalene
CID 90266560
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
1-(2-iodo-5-methyl-3-naphthalen-1-ylphenyl)naphthalene
CID 71418637
2-naphthalen-1-ylthiophene-3-carbonitrile
CID 11770428
6-amino-2-naphthalen-1-ylpyrimidine-4-carbonitrile
CID 116862729
naphthalene-1-carbonitrile;sulfane
CID 175607355

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-3-naphthalen-1-ylnaphthalene-2-carbonitrile?
The IUPAC name of 6,7-dimethyl-3-naphthalen-1-ylnaphthalene-2-carbonitrile (CID 102235920) is 6,7-dimethyl-3-naphthalen-1-ylnaphthalene-2-carbonitrile.
What is the SMILES notation for 6,7-dimethyl-3-naphthalen-1-ylnaphthalene-2-carbonitrile?
The canonical SMILES for 6,7-dimethyl-3-naphthalen-1-ylnaphthalene-2-carbonitrile is Cc1cc2cc(C#N)c(-c3cccc4ccccc34)cc2cc1C.
What is the InChIKey of 6,7-dimethyl-3-naphthalen-1-ylnaphthalene-2-carbonitrile?
The InChIKey is VXTDQYYFADBXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N/c1-15-10-18-12-20(14-24)23(13-19(18)11-16(15)2)22-9-5-7-17-6-3-4-8-21(17)22/h3-13H,1-2H3.
What are the key properties of 6,7-dimethyl-3-naphthalen-1-ylnaphthalene-2-carbonitrile?
6,7-dimethyl-3-naphthalen-1-ylnaphthalene-2-carbonitrile has a molecular weight of 307.40 g/mol, XLogP of 6.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-3-naphthalen-1-ylnaphthalene-2-carbonitrile is sourced from PubChem (CID 102235920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).