(4-phenylphenyl)-(1-phenyltetrazol-5-yl)methanone

C20H14N4O — CID 134836100

IUPAC(4-phenylphenyl)-(1-phenyltetrazol-5-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)c1nnnn1-c1ccccc1
InChIInChI=1S/C20H14N4O/c25-19(20-21-22-23-24(20)18-9-5-2-6-10-18)17-13-11-16(12-14-17)15-7-3-1-4-8-15/h1-14H
InChIKeyQQKOZPMSWCLVPF-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.56
Rot. Bonds4

About (4-phenylphenyl)-(1-phenyltetrazol-5-yl)methanone

(4-phenylphenyl)-(1-phenyltetrazol-5-yl)methanone (PubChem CID 134836100) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is (4-phenylphenyl)-(1-phenyltetrazol-5-yl)methanone.

Molecular Properties

Compound Name(4-phenylphenyl)-(1-phenyltetrazol-5-yl)methanone
PubChem CID134836100
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name(4-phenylphenyl)-(1-phenyltetrazol-5-yl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)c1nnnn1-c1ccccc1
InChIInChI=1S/C20H14N4O/c25-19(20-21-22-23-24(20)18-9-5-2-6-10-18)17-13-11-16(12-14-17)15-7-3-1-4-8-15/h1-14H
InChIKeyQQKOZPMSWCLVPF-UHFFFAOYSA-N
XLogP3.56
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl-(4-phenylphenyl)methanone
CID 155775877
1-phenyl-5-(4-phenylphenoxy)tetrazole
CID 2477634
N-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-4-phenylbenzamide
CID 16799246
(E)-3-(dimethylamino)-1-(4-fluorophenyl)-2-(1-phenyltetrazol-5-yl)prop-2-en-1-one
CID 93017072
4-[(1-phenyltetrazol-5-yl)amino]benzoic acid
CID 43172025
1-(4-fluorophenyl)tetrazole-5-carboxylic acid
CID 83883582
1-[1-(4-methylphenyl)tetrazol-5-yl]ethanone
CID 84670641
(1-phenyltetrazol-5-yl)sulfanylcarbamic acid
CID 19435783
4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]benzamide
CID 27309581
(Z)-3-(1-phenyltetrazol-5-yl)-4-piperidin-1-ylbut-3-en-2-one
CID 15076117
(4-aminopiperidin-1-yl)-[4-(1-phenyltetrazol-5-yl)phenyl]methanone
CID 121495789
3-(5-methyltetrazol-1-yl)-5-phenylbenzoic acid
CID 151002754

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)-(1-phenyltetrazol-5-yl)methanone?
The IUPAC name of (4-phenylphenyl)-(1-phenyltetrazol-5-yl)methanone (CID 134836100) is (4-phenylphenyl)-(1-phenyltetrazol-5-yl)methanone.
What is the SMILES notation for (4-phenylphenyl)-(1-phenyltetrazol-5-yl)methanone?
The canonical SMILES for (4-phenylphenyl)-(1-phenyltetrazol-5-yl)methanone is O=C(c1ccc(-c2ccccc2)cc1)c1nnnn1-c1ccccc1.
What is the InChIKey of (4-phenylphenyl)-(1-phenyltetrazol-5-yl)methanone?
The InChIKey is QQKOZPMSWCLVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O/c25-19(20-21-22-23-24(20)18-9-5-2-6-10-18)17-13-11-16(12-14-17)15-7-3-1-4-8-15/h1-14H.
What are the key properties of (4-phenylphenyl)-(1-phenyltetrazol-5-yl)methanone?
(4-phenylphenyl)-(1-phenyltetrazol-5-yl)methanone has a molecular weight of 326.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)-(1-phenyltetrazol-5-yl)methanone is sourced from PubChem (CID 134836100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).