1-(4-methylphenyl)-3,5-bis(4-nitrosophenyl)benzene

C25H18N2O2 — CID 174243858

IUPAC1-(4-methylphenyl)-3,5-bis(4-nitrosophenyl)benzene
SMILESCc1ccc(-c2cc(-c3ccc(N=O)cc3)cc(-c3ccc(N=O)cc3)c2)cc1
InChIInChI=1S/C25H18N2O2/c1-17-2-4-18(5-3-17)21-14-22(19-6-10-24(26-28)11-7-19)16-23(15-21)20-8-12-25(27-29)13-9-20/h2-16H,1H3
InChIKeyBLNIPGMNEAHNKA-UHFFFAOYSA-N
MW378.43 g/mol
LogP7.79
Rot. Bonds5

About 1-(4-methylphenyl)-3,5-bis(4-nitrosophenyl)benzene

1-(4-methylphenyl)-3,5-bis(4-nitrosophenyl)benzene (PubChem CID 174243858) has the molecular formula C25H18N2O2 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3,5-bis(4-nitrosophenyl)benzene.

Molecular Properties

Compound Name1-(4-methylphenyl)-3,5-bis(4-nitrosophenyl)benzene
PubChem CID174243858
Molecular FormulaC25H18N2O2
Molecular Weight378.43 g/mol
Exact Mass378.14
IUPAC Name1-(4-methylphenyl)-3,5-bis(4-nitrosophenyl)benzene
SMILESCc1ccc(-c2cc(-c3ccc(N=O)cc3)cc(-c3ccc(N=O)cc3)c2)cc1
InChIInChI=1S/C25H18N2O2/c1-17-2-4-18(5-3-17)21-14-22(19-6-10-24(26-28)11-7-19)16-23(15-21)20-8-12-25(27-29)13-9-20/h2-16H,1H3
InChIKeyBLNIPGMNEAHNKA-UHFFFAOYSA-N
XLogP7.79
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.43
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-trimethyl-2-(4-methylphenyl)-4,6-bis(4-nitrosophenyl)benzene
CID 174243860
ethane;1,3,5-tris(4-methylphenyl)benzene
CID 91508266
1-methyl-4-(4-nitrosophenyl)sulfanylbenzene
CID 142040768
1-methyl-3-[3-methyl-5-(4-methylphenyl)phenyl]-5-(4-methylphenyl)benzene
CID 58892368
1-tert-butyl-4-(4-nitrosophenyl)benzene
CID 3025980
1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene
CID 58892382
2,6-bis(4-nitrosophenyl)anthracene
CID 174243904
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
1-N-methyl-4-N,4-N-bis(4-methylphenyl)-1-N-(4-nitrosophenyl)benzene-1,4-diamine
CID 88873272
1-bromo-4-nitrosobenzene;1,3-dimethyl-5-nitrosobenzene;1-methyl-4-nitrosobenzene;nitrosobenzene
CID 159054810
O-[4-[3-[3-(4-aminooxyphenyl)-2,4,6-trimethyl-5-(4-methylphenyl)phenyl]-2,4,6-trimethyl-5-(4-nitrosophenyl)phenyl]phenyl]hydroxylamine
CID 174243881
2-(4-methylphenyl)-3-(4-nitrosophenyl)-1H-pyrazol-2-ium
CID 144558522

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3,5-bis(4-nitrosophenyl)benzene?
The IUPAC name of 1-(4-methylphenyl)-3,5-bis(4-nitrosophenyl)benzene (CID 174243858) is 1-(4-methylphenyl)-3,5-bis(4-nitrosophenyl)benzene.
What is the SMILES notation for 1-(4-methylphenyl)-3,5-bis(4-nitrosophenyl)benzene?
The canonical SMILES for 1-(4-methylphenyl)-3,5-bis(4-nitrosophenyl)benzene is Cc1ccc(-c2cc(-c3ccc(N=O)cc3)cc(-c3ccc(N=O)cc3)c2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3,5-bis(4-nitrosophenyl)benzene?
The InChIKey is BLNIPGMNEAHNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O2/c1-17-2-4-18(5-3-17)21-14-22(19-6-10-24(26-28)11-7-19)16-23(15-21)20-8-12-25(27-29)13-9-20/h2-16H,1H3.
What are the key properties of 1-(4-methylphenyl)-3,5-bis(4-nitrosophenyl)benzene?
1-(4-methylphenyl)-3,5-bis(4-nitrosophenyl)benzene has a molecular weight of 378.43 g/mol, XLogP of 7.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3,5-bis(4-nitrosophenyl)benzene is sourced from PubChem (CID 174243858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).