7-naphthalen-1-yl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene

C16H12N2 — CID 118895490

IUPAC7-naphthalen-1-yl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene
SMILESc1ccc2c(-n3[nH]c4ccccc43)cccc2c1
InChIInChI=1S/C16H12N2/c1-2-8-13-12(6-1)7-5-11-15(13)18-16-10-4-3-9-14(16)17-18/h1-11,17H
InChIKeyLAOHYDQNFOCRQR-UHFFFAOYSA-N
MW232.29 g/mol
LogP4.11
Rot. Bonds1

About 7-naphthalen-1-yl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene

7-naphthalen-1-yl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 118895490) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 7-naphthalen-1-yl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Name7-naphthalen-1-yl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene
PubChem CID118895490
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name7-naphthalen-1-yl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene
SMILESc1ccc2c(-n3[nH]c4ccccc43)cccc2c1
InChIInChI=1S/C16H12N2/c1-2-8-13-12(6-1)7-5-11-15(13)18-16-10-4-3-9-14(16)17-18/h1-11,17H
InChIKeyLAOHYDQNFOCRQR-UHFFFAOYSA-N
XLogP4.11
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-4-yl]-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
CID 71084025
2-(4-Ethyl-2-fluorophenyl)-8-methyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene
CID 156796568
N-[2-[2-ethyl-3-[3-(hept-6-enylamino)prop-1-en-2-yl]-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-7-yl]cyclohexyl]-4,4-difluorocyclohexan-1-amine
CID 170072864
Hydrazonaphthylamine
CID 155387864
N-[3-(8-benzyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-trien-2-yl)phenyl]acetamide
CID 69887154
7-Phenyl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene
CID 89152837
3-[3-Ethyl-2-(3-propan-2-ylphenyl)phenyl]-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
CID 123177032
3-[3-Ethyl-2-(3-methylphenyl)phenyl]-7-methyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-triene
CID 123745089
(1Z,3E)-3-(7,8-diphenyl-7,8-diazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl)-1-phenylhexa-1,3-dien-1-amine
CID 142296251
N-[(1Z,3Z,5Z)-1-[3-(7,8-diazabicyclo[4.2.0]octa-1,3,5-trien-7-yl)naphthalen-2-yl]hepta-1,3,5-trien-2-yl]-3-[N-[(1Z)-1,3-diphenylbuta-1,3-dienyl]-C-methylcarbonimidoyl]aniline
CID 142397094
N-[2-[3-(7,8-diazabicyclo[4.2.0]octa-1,3,5-trien-7-yl)naphthalen-2-yl]cyclohexa-1,5-dien-1-yl]-3-fluoranthen-3-ylaniline
CID 142397111
1-[2-(7,8-diazabicyclo[4.2.0]octa-1,3,5-trien-7-yl)phenyl]-N-[(1Z)-1-fluoren-1-ylidenebutan-2-yl]naphthalen-2-amine
CID 142397373

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-1-yl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene?
The IUPAC name of 7-naphthalen-1-yl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene (CID 118895490) is 7-naphthalen-1-yl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for 7-naphthalen-1-yl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for 7-naphthalen-1-yl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene is c1ccc2c(-n3[nH]c4ccccc43)cccc2c1.
What is the InChIKey of 7-naphthalen-1-yl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene?
The InChIKey is LAOHYDQNFOCRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c1-2-8-13-12(6-1)7-5-11-15(13)18-16-10-4-3-9-14(16)17-18/h1-11,17H.
What are the key properties of 7-naphthalen-1-yl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene?
7-naphthalen-1-yl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 232.29 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-1-yl-7,8-diazabicyclo[4.2.0]octa-1,3,5-triene is sourced from PubChem (CID 118895490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).