1-(2,6-dichlorophenyl)-2-(4-methylphenyl)-3-nitro-5-(2-nitrophenyl)-4-(4-propan-2-ylphenyl)benzene

C34H26Cl2N2O4 — CID 141086818

IUPAC1-(2,6-dichlorophenyl)-2-(4-methylphenyl)-3-nitro-5-(2-nitrophenyl)-4-(4-propan-2-ylphenyl)benzene
SMILESCc1ccc(-c2c(-c3c(Cl)cccc3Cl)cc(-c3ccccc3[N+](=O)[O-])c(-c3ccc(C(C)C)cc3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C34H26Cl2N2O4/c1-20(2)22-15-17-24(18-16-22)31-26(25-7-4-5-10-30(25)37(39)40)19-27(33-28(35)8-6-9-29(33)36)32(34(31)38(41)42)23-13-11-21(3)12-14-23/h4-20H,1-3H3
InChIKeyARFDFKZWMCDHKF-UHFFFAOYSA-N
MW597.50 g/mol
LogP10.91
Rot. Bonds7

About 1-(2,6-dichlorophenyl)-2-(4-methylphenyl)-3-nitro-5-(2-nitrophenyl)-4-(4-propan-2-ylphenyl)benzene

1-(2,6-dichlorophenyl)-2-(4-methylphenyl)-3-nitro-5-(2-nitrophenyl)-4-(4-propan-2-ylphenyl)benzene (PubChem CID 141086818) has the molecular formula C34H26Cl2N2O4 and a molecular weight of 597.50 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-2-(4-methylphenyl)-3-nitro-5-(2-nitrophenyl)-4-(4-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-2-(4-methylphenyl)-3-nitro-5-(2-nitrophenyl)-4-(4-propan-2-ylphenyl)benzene
PubChem CID141086818
Molecular FormulaC34H26Cl2N2O4
Molecular Weight597.50 g/mol
Exact Mass596.13
IUPAC Name1-(2,6-dichlorophenyl)-2-(4-methylphenyl)-3-nitro-5-(2-nitrophenyl)-4-(4-propan-2-ylphenyl)benzene
SMILESCc1ccc(-c2c(-c3c(Cl)cccc3Cl)cc(-c3ccccc3[N+](=O)[O-])c(-c3ccc(C(C)C)cc3)c2[N+](=O)[O-])cc1
InChIInChI=1S/C34H26Cl2N2O4/c1-20(2)22-15-17-24(18-16-22)31-26(25-7-4-5-10-30(25)37(39)40)19-27(33-28(35)8-6-9-29(33)36)32(34(31)38(41)42)23-13-11-21(3)12-14-23/h4-20H,1-3H3
InChIKeyARFDFKZWMCDHKF-UHFFFAOYSA-N
XLogP10.91
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.50
LogP ≤ 510.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-chloro-6-nitrophenyl)phenyl]naphthalene
CID 171044125
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
1-(3-methylphenyl)-2-nitrobenzene
CID 12592509
1-(2,6-dichlorophenyl)-2-fluoro-3-nitrobenzene
CID 119007627
1,3-dimethyl-5-(2-nitrophenyl)benzene
CID 102025373
4-methyl-2-(4-methylphenyl)-1-nitrobenzene
CID 57163038
1-(2-nitrophenyl)anthracene-9,10-dione
CID 624934
1-chloro-2-methyl-3-nitrobenzene
CID 6740
4-(2-chlorophenyl)-6-methyl-3-nitroquinoline
CID 15035197
2-chloro-4-(2-nitrophenyl)benzoic acid
CID 70699639
2,6-dichloro-N-[1-(4-methyl-3-nitrophenyl)ethyl]aniline
CID 65469894
4-nitro-2-(4-propan-2-ylphenyl)isoindole-1,3-dione
CID 19168396

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-2-(4-methylphenyl)-3-nitro-5-(2-nitrophenyl)-4-(4-propan-2-ylphenyl)benzene?
The IUPAC name of 1-(2,6-dichlorophenyl)-2-(4-methylphenyl)-3-nitro-5-(2-nitrophenyl)-4-(4-propan-2-ylphenyl)benzene (CID 141086818) is 1-(2,6-dichlorophenyl)-2-(4-methylphenyl)-3-nitro-5-(2-nitrophenyl)-4-(4-propan-2-ylphenyl)benzene.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-2-(4-methylphenyl)-3-nitro-5-(2-nitrophenyl)-4-(4-propan-2-ylphenyl)benzene?
The canonical SMILES for 1-(2,6-dichlorophenyl)-2-(4-methylphenyl)-3-nitro-5-(2-nitrophenyl)-4-(4-propan-2-ylphenyl)benzene is Cc1ccc(-c2c(-c3c(Cl)cccc3Cl)cc(-c3ccccc3[N+](=O)[O-])c(-c3ccc(C(C)C)cc3)c2[N+](=O)[O-])cc1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-2-(4-methylphenyl)-3-nitro-5-(2-nitrophenyl)-4-(4-propan-2-ylphenyl)benzene?
The InChIKey is ARFDFKZWMCDHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26Cl2N2O4/c1-20(2)22-15-17-24(18-16-22)31-26(25-7-4-5-10-30(25)37(39)40)19-27(33-28(35)8-6-9-29(33)36)32(34(31)38(41)42)23-13-11-21(3)12-14-23/h4-20H,1-3H3.
What are the key properties of 1-(2,6-dichlorophenyl)-2-(4-methylphenyl)-3-nitro-5-(2-nitrophenyl)-4-(4-propan-2-ylphenyl)benzene?
1-(2,6-dichlorophenyl)-2-(4-methylphenyl)-3-nitro-5-(2-nitrophenyl)-4-(4-propan-2-ylphenyl)benzene has a molecular weight of 597.50 g/mol, XLogP of 10.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-2-(4-methylphenyl)-3-nitro-5-(2-nitrophenyl)-4-(4-propan-2-ylphenyl)benzene is sourced from PubChem (CID 141086818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).