1,1'-biphenyl;2-naphthalen-1-yltetrazole;hydrochloride

C23H19ClN4 — CID 174673008

IUPAC1,1'-biphenyl;2-naphthalen-1-yltetrazole;hydrochloride
SMILESCl.c1ccc(-c2ccccc2)cc1.c1ccc2c(-n3ncnn3)cccc2c1
InChIInChI=1S/C12H10.C11H8N4.ClH/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-9(4-1)5-3-7-11(10)15-13-8-12-14-15;/h1-10H;1-8H;1H
InChIKeyYCPLDVOUSLDWMC-UHFFFAOYSA-N
MW386.89 g/mol
LogP5.59
Rot. Bonds2

About 1,1'-biphenyl;2-naphthalen-1-yltetrazole;hydrochloride

1,1'-biphenyl;2-naphthalen-1-yltetrazole;hydrochloride (PubChem CID 174673008) has the molecular formula C23H19ClN4 and a molecular weight of 386.89 g/mol. Its IUPAC name is 1,1'-biphenyl;2-naphthalen-1-yltetrazole;hydrochloride.

Molecular Properties

Compound Name1,1'-biphenyl;2-naphthalen-1-yltetrazole;hydrochloride
PubChem CID174673008
Molecular FormulaC23H19ClN4
Molecular Weight386.89 g/mol
Exact Mass386.13
IUPAC Name1,1'-biphenyl;2-naphthalen-1-yltetrazole;hydrochloride
SMILESCl.c1ccc(-c2ccccc2)cc1.c1ccc2c(-n3ncnn3)cccc2c1
InChIInChI=1S/C12H10.C11H8N4.ClH/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-9(4-1)5-3-7-11(10)15-13-8-12-14-15;/h1-10H;1-8H;1H
InChIKeyYCPLDVOUSLDWMC-UHFFFAOYSA-N
XLogP5.59
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.89
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 57075336
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1-naphthalen-1-yl-5-phenyltriazole-4-carbaldehyde
CID 82199758
1-(1-naphthalen-1-yl-5-phenyltriazol-4-yl)ethanone
CID 94939684
9-naphthalen-1-yl-2-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
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1-methyl-9-naphthalen-1-yl-8-phenylcarbazole
CID 138623517
5-[6-(benzotriazol-2-yl)naphthalen-2-yl]-2-naphthalen-1-ylbenzotriazole
CID 146647723
1-naphthalen-1-ylimidazole;hydrochloride
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7-naphthalen-1-yl-2-phenylbenzo[c]carbazole
CID 130351033
3,5-dimethyl-4-naphthalen-1-yl-1,2,4-triazole
CID 91542919
9-naphthalen-1-yl-14-(6-phenylnaphthalen-1-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 142551551

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;2-naphthalen-1-yltetrazole;hydrochloride?
The IUPAC name of 1,1'-biphenyl;2-naphthalen-1-yltetrazole;hydrochloride (CID 174673008) is 1,1'-biphenyl;2-naphthalen-1-yltetrazole;hydrochloride.
What is the SMILES notation for 1,1'-biphenyl;2-naphthalen-1-yltetrazole;hydrochloride?
The canonical SMILES for 1,1'-biphenyl;2-naphthalen-1-yltetrazole;hydrochloride is Cl.c1ccc(-c2ccccc2)cc1.c1ccc2c(-n3ncnn3)cccc2c1.
What is the InChIKey of 1,1'-biphenyl;2-naphthalen-1-yltetrazole;hydrochloride?
The InChIKey is YCPLDVOUSLDWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C11H8N4.ClH/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-9(4-1)5-3-7-11(10)15-13-8-12-14-15;/h1-10H;1-8H;1H.
What are the key properties of 1,1'-biphenyl;2-naphthalen-1-yltetrazole;hydrochloride?
1,1'-biphenyl;2-naphthalen-1-yltetrazole;hydrochloride has a molecular weight of 386.89 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;2-naphthalen-1-yltetrazole;hydrochloride is sourced from PubChem (CID 174673008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).