[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methyl-(5-nitro-2-pyridinyl)diazene

C24H21N5O2 — CID 170922180

IUPAC[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methyl-(5-nitro-2-pyridinyl)diazene
SMILESCc1cc(C/N=N/c2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H21N5O2/c1-17-14-21(15-26-27-24-13-12-23(16-25-24)29(30)31)18(2)28(17)22-10-8-20(9-11-22)19-6-4-3-5-7-19/h3-14,16H,15H2,1-2H3/b27-26+
InChIKeyJICNHGMOPCTFON-CYYJNZCTSA-N
MW411.47 g/mol
LogP6.35
Rot. Bonds6

About [2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methyl-(5-nitro-2-pyridinyl)diazene

[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methyl-(5-nitro-2-pyridinyl)diazene (PubChem CID 170922180) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is [2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methyl-(5-nitro-2-pyridinyl)diazene.

Molecular Properties

Compound Name[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methyl-(5-nitro-2-pyridinyl)diazene
PubChem CID170922180
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methyl-(5-nitro-2-pyridinyl)diazene
SMILESCc1cc(C/N=N/c2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H21N5O2/c1-17-14-21(15-26-27-24-13-12-23(16-25-24)29(30)31)18(2)28(17)22-10-8-20(9-11-22)19-6-4-3-5-7-19/h3-14,16H,15H2,1-2H3/b27-26+
InChIKeyJICNHGMOPCTFON-CYYJNZCTSA-N
XLogP6.35
TPSA85.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.47
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5-nitro-2-pyridinyl)-(phthalazin-1-ylmethyl)diazene
CID 54157550
4-[[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]methyldiazenyl]-5-nitropyrimidin-2-amine
CID 91897732
1-(2,6-dichlorophenyl)-N-[(E)-[2,5-dimethyl-1-[4-(4-nitrophenyl)phenyl]pyrrol-3-yl]methylideneamino]methanamine
CID 19060129
3-methyl-9-[4-[4-(3-nitrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 22944348
(15S,19R)-17-[(Z)-[2,5-dimethyl-1-[4-(4-nitrophenyl)phenyl]pyrrol-3-yl]methylideneamino]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 124558761
1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-methylmethanamine
CID 43090175
4-(4-nitrophenyl)-2,6-diphenylpyridine
CID 631783
N-[[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-5-nitropyridine-2-carboxamide
CID 2336152
4-[2,5-dimethyl-3-[(Z)-[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]pyrrol-1-yl]benzoate
CID 7371471
2-bromo-N-[(E)-[2,5-dimethyl-1-[4-(4-nitrophenyl)phenyl]pyrrol-3-yl]methylideneamino]benzamide
CID 17245347
2-[(5-nitro-2-pyridinyl)diazenyl]naphthalene-1,4-diol
CID 136665588
3-methyl-5-nitro-2-(2-phenylphenyl)pyridine
CID 86690158

Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methyl-(5-nitro-2-pyridinyl)diazene?
The IUPAC name of [2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methyl-(5-nitro-2-pyridinyl)diazene (CID 170922180) is [2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methyl-(5-nitro-2-pyridinyl)diazene.
What is the SMILES notation for [2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methyl-(5-nitro-2-pyridinyl)diazene?
The canonical SMILES for [2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methyl-(5-nitro-2-pyridinyl)diazene is Cc1cc(C/N=N/c2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methyl-(5-nitro-2-pyridinyl)diazene?
The InChIKey is JICNHGMOPCTFON-CYYJNZCTSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-17-14-21(15-26-27-24-13-12-23(16-25-24)29(30)31)18(2)28(17)22-10-8-20(9-11-22)19-6-4-3-5-7-19/h3-14,16H,15H2,1-2H3/b27-26+.
What are the key properties of [2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methyl-(5-nitro-2-pyridinyl)diazene?
[2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methyl-(5-nitro-2-pyridinyl)diazene has a molecular weight of 411.47 g/mol, XLogP of 6.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-1-(4-phenylphenyl)pyrrol-3-yl]methyl-(5-nitro-2-pyridinyl)diazene is sourced from PubChem (CID 170922180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).