2-[4,5-bis(3-nitrophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol

C30H19N3O6 — CID 135867842

IUPAC2-[4,5-bis(3-nitrophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol
SMILESO=[N+]([O-])c1cccc(-c2cc(-c3ccccc3O)nc3c2C(c2cccc([N+](=O)[O-])c2)Oc2ccccc2-3)c1
InChIInChI=1S/C30H19N3O6/c34-26-13-3-1-11-22(26)25-17-24(18-7-5-9-20(15-18)32(35)36)28-29(31-25)23-12-2-4-14-27(23)39-30(28)19-8-6-10-21(16-19)33(37)38/h1-17,30,34H
InChIKeyDBOMSWKBQNMLIT-UHFFFAOYSA-N
MW517.50 g/mol
LogP7.09
Rot. Bonds5

About 2-[4,5-bis(3-nitrophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol

2-[4,5-bis(3-nitrophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol (PubChem CID 135867842) has the molecular formula C30H19N3O6 and a molecular weight of 517.50 g/mol. Its IUPAC name is 2-[4,5-bis(3-nitrophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol.

Molecular Properties

Compound Name2-[4,5-bis(3-nitrophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol
PubChem CID135867842
Molecular FormulaC30H19N3O6
Molecular Weight517.50 g/mol
Exact Mass517.13
IUPAC Name2-[4,5-bis(3-nitrophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol
SMILESO=[N+]([O-])c1cccc(-c2cc(-c3ccccc3O)nc3c2C(c2cccc([N+](=O)[O-])c2)Oc2ccccc2-3)c1
InChIInChI=1S/C30H19N3O6/c34-26-13-3-1-11-22(26)25-17-24(18-7-5-9-20(15-18)32(35)36)28-29(31-25)23-12-2-4-14-27(23)39-30(28)19-8-6-10-21(16-19)33(37)38/h1-17,30,34H
InChIKeyDBOMSWKBQNMLIT-UHFFFAOYSA-N
XLogP7.09
TPSA128.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.50
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4,5-bis(3-nitrophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-nitrophenyl)-2,3-dihydrochromen-4-one
CID 10084425
(4E,5R)-4-[hydroxy(phenyl)methylidene]-5-(3-nitrophenyl)oxolane-2,3-dione
CID 7113811
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595
(9S,11S)-11-(4-methylphenyl)-9-(3-nitrophenyl)-8-oxa-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
CID 136667598
5-[(4-chlorophenyl)methyl]-3-(2-hydroxyphenyl)-4-(3-nitrophenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 135675291
(5R,10bS)-2-naphthalen-1-yl-5-(3-nitrophenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 25277104
2-fluoro-3-(3-nitrophenyl)pyridine
CID 125425503
4-(3-nitrophenyl)-3-phenyl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 4068850
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
1-methyl-2-(3-nitrophenyl)imidazol-4-ol
CID 106952341
methyl 2-(3-nitrophenyl)benzoate
CID 11708670
6-hydroxy-2-(3-nitrophenyl)-2,3-dihydrochromen-4-one
CID 157444606

Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(3-nitrophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol?
The IUPAC name of 2-[4,5-bis(3-nitrophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol (CID 135867842) is 2-[4,5-bis(3-nitrophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol.
What is the SMILES notation for 2-[4,5-bis(3-nitrophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol?
The canonical SMILES for 2-[4,5-bis(3-nitrophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol is O=[N+]([O-])c1cccc(-c2cc(-c3ccccc3O)nc3c2C(c2cccc([N+](=O)[O-])c2)Oc2ccccc2-3)c1.
What is the InChIKey of 2-[4,5-bis(3-nitrophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol?
The InChIKey is DBOMSWKBQNMLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N3O6/c34-26-13-3-1-11-22(26)25-17-24(18-7-5-9-20(15-18)32(35)36)28-29(31-25)23-12-2-4-14-27(23)39-30(28)19-8-6-10-21(16-19)33(37)38/h1-17,30,34H.
What are the key properties of 2-[4,5-bis(3-nitrophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol?
2-[4,5-bis(3-nitrophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol has a molecular weight of 517.50 g/mol, XLogP of 7.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(3-nitrophenyl)-5H-chromeno[4,3-b]pyridin-2-yl]phenol is sourced from PubChem (CID 135867842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).