6-methyl-7-(4-nitrophenyl)-2-[(4-nitrophenyl)methyl]indolizine

C22H17N3O4 — CID 23267872

IUPAC6-methyl-7-(4-nitrophenyl)-2-[(4-nitrophenyl)methyl]indolizine
SMILESCc1cn2cc(Cc3ccc([N+](=O)[O-])cc3)cc2cc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H17N3O4/c1-15-13-23-14-17(10-16-2-6-19(7-3-16)24(26)27)11-21(23)12-22(15)18-4-8-20(9-5-18)25(28)29/h2-9,11-14H,10H2,1H3
InChIKeyNKPNTHWOWPPPSI-UHFFFAOYSA-N
MW387.40 g/mol
LogP5.32
Rot. Bonds5

About 6-methyl-7-(4-nitrophenyl)-2-[(4-nitrophenyl)methyl]indolizine

6-methyl-7-(4-nitrophenyl)-2-[(4-nitrophenyl)methyl]indolizine (PubChem CID 23267872) has the molecular formula C22H17N3O4 and a molecular weight of 387.40 g/mol. Its IUPAC name is 6-methyl-7-(4-nitrophenyl)-2-[(4-nitrophenyl)methyl]indolizine.

Molecular Properties

Compound Name6-methyl-7-(4-nitrophenyl)-2-[(4-nitrophenyl)methyl]indolizine
PubChem CID23267872
Molecular FormulaC22H17N3O4
Molecular Weight387.40 g/mol
Exact Mass387.12
IUPAC Name6-methyl-7-(4-nitrophenyl)-2-[(4-nitrophenyl)methyl]indolizine
SMILESCc1cn2cc(Cc3ccc([N+](=O)[O-])cc3)cc2cc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H17N3O4/c1-15-13-23-14-17(10-16-2-6-19(7-3-16)24(26)27)11-21(23)12-22(15)18-4-8-20(9-5-18)25(28)29/h2-9,11-14H,10H2,1H3
InChIKeyNKPNTHWOWPPPSI-UHFFFAOYSA-N
XLogP5.32
TPSA90.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.40
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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3-methyl-4-(4-nitrophenyl)phenol
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1-(4-chlorophenyl)-2-methyl-4-nitrobenzene
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1,4-bis[(4-nitrophenyl)methyl]pyridin-1-ium
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4-methoxy-1-methyl-2-[(4-nitrophenyl)methyl]benzene
CID 173081709
5-(bromomethyl)-1,3-dimethyl-2-[(4-nitrophenyl)methoxy]benzene
CID 43324538
N-methyl-4-(2-methyl-5-nitrophenyl)benzenesulfonamide
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CID 89217409
CID 89217409
1-tert-butyl-3-[(4-nitrophenyl)methyl]benzene
CID 163584645

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-(4-nitrophenyl)-2-[(4-nitrophenyl)methyl]indolizine?
The IUPAC name of 6-methyl-7-(4-nitrophenyl)-2-[(4-nitrophenyl)methyl]indolizine (CID 23267872) is 6-methyl-7-(4-nitrophenyl)-2-[(4-nitrophenyl)methyl]indolizine.
What is the SMILES notation for 6-methyl-7-(4-nitrophenyl)-2-[(4-nitrophenyl)methyl]indolizine?
The canonical SMILES for 6-methyl-7-(4-nitrophenyl)-2-[(4-nitrophenyl)methyl]indolizine is Cc1cn2cc(Cc3ccc([N+](=O)[O-])cc3)cc2cc1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 6-methyl-7-(4-nitrophenyl)-2-[(4-nitrophenyl)methyl]indolizine?
The InChIKey is NKPNTHWOWPPPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O4/c1-15-13-23-14-17(10-16-2-6-19(7-3-16)24(26)27)11-21(23)12-22(15)18-4-8-20(9-5-18)25(28)29/h2-9,11-14H,10H2,1H3.
What are the key properties of 6-methyl-7-(4-nitrophenyl)-2-[(4-nitrophenyl)methyl]indolizine?
6-methyl-7-(4-nitrophenyl)-2-[(4-nitrophenyl)methyl]indolizine has a molecular weight of 387.40 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-(4-nitrophenyl)-2-[(4-nitrophenyl)methyl]indolizine is sourced from PubChem (CID 23267872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).