1,3,5-trimethyl-2-(4-methylphenyl)-4,6-bis(4-nitrosophenyl)benzene

C28H24N2O2 — CID 174243860

IUPAC1,3,5-trimethyl-2-(4-methylphenyl)-4,6-bis(4-nitrosophenyl)benzene
SMILESCc1ccc(-c2c(C)c(-c3ccc(N=O)cc3)c(C)c(-c3ccc(N=O)cc3)c2C)cc1
InChIInChI=1S/C28H24N2O2/c1-17-5-7-21(8-6-17)26-18(2)27(22-9-13-24(29-31)14-10-22)20(4)28(19(26)3)23-11-15-25(30-32)16-12-23/h5-16H,1-4H3
InChIKeySNRGWIDVYQTUAK-UHFFFAOYSA-N
MW420.51 g/mol
LogP8.72
Rot. Bonds5

About 1,3,5-trimethyl-2-(4-methylphenyl)-4,6-bis(4-nitrosophenyl)benzene

1,3,5-trimethyl-2-(4-methylphenyl)-4,6-bis(4-nitrosophenyl)benzene (PubChem CID 174243860) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-(4-methylphenyl)-4,6-bis(4-nitrosophenyl)benzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-(4-methylphenyl)-4,6-bis(4-nitrosophenyl)benzene
PubChem CID174243860
Molecular FormulaC28H24N2O2
Molecular Weight420.51 g/mol
Exact Mass420.18
IUPAC Name1,3,5-trimethyl-2-(4-methylphenyl)-4,6-bis(4-nitrosophenyl)benzene
SMILESCc1ccc(-c2c(C)c(-c3ccc(N=O)cc3)c(C)c(-c3ccc(N=O)cc3)c2C)cc1
InChIInChI=1S/C28H24N2O2/c1-17-5-7-21(8-6-17)26-18(2)27(22-9-13-24(29-31)14-10-22)20(4)28(19(26)3)23-11-15-25(30-32)16-12-23/h5-16H,1-4H3
InChIKeySNRGWIDVYQTUAK-UHFFFAOYSA-N
XLogP8.72
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-(4-methylphenyl)-4,6-bis(4-nitrosophenyl)benzene?
The IUPAC name of 1,3,5-trimethyl-2-(4-methylphenyl)-4,6-bis(4-nitrosophenyl)benzene (CID 174243860) is 1,3,5-trimethyl-2-(4-methylphenyl)-4,6-bis(4-nitrosophenyl)benzene.
What is the SMILES notation for 1,3,5-trimethyl-2-(4-methylphenyl)-4,6-bis(4-nitrosophenyl)benzene?
The canonical SMILES for 1,3,5-trimethyl-2-(4-methylphenyl)-4,6-bis(4-nitrosophenyl)benzene is Cc1ccc(-c2c(C)c(-c3ccc(N=O)cc3)c(C)c(-c3ccc(N=O)cc3)c2C)cc1.
What is the InChIKey of 1,3,5-trimethyl-2-(4-methylphenyl)-4,6-bis(4-nitrosophenyl)benzene?
The InChIKey is SNRGWIDVYQTUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2/c1-17-5-7-21(8-6-17)26-18(2)27(22-9-13-24(29-31)14-10-22)20(4)28(19(26)3)23-11-15-25(30-32)16-12-23/h5-16H,1-4H3.
What are the key properties of 1,3,5-trimethyl-2-(4-methylphenyl)-4,6-bis(4-nitrosophenyl)benzene?
1,3,5-trimethyl-2-(4-methylphenyl)-4,6-bis(4-nitrosophenyl)benzene has a molecular weight of 420.51 g/mol, XLogP of 8.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-(4-methylphenyl)-4,6-bis(4-nitrosophenyl)benzene is sourced from PubChem (CID 174243860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).