1-(2-nitrophenyl)phenanthro[9,10-b]pyrrole

C22H14N2O2 — CID 150782131

IUPAC1-(2-nitrophenyl)phenanthro[9,10-b]pyrrole
SMILESO=[N+]([O-])c1ccccc1-n1ccc2c3ccccc3c3ccccc3c21
InChIInChI=1S/C22H14N2O2/c25-24(26)21-12-6-5-11-20(21)23-14-13-19-17-9-2-1-7-15(17)16-8-3-4-10-18(16)22(19)23/h1-14H
InChIKeyKCCLRONGXFVQQR-UHFFFAOYSA-N
MW338.37 g/mol
LogP5.85
Rot. Bonds2

About 1-(2-nitrophenyl)phenanthro[9,10-b]pyrrole

1-(2-nitrophenyl)phenanthro[9,10-b]pyrrole (PubChem CID 150782131) has the molecular formula C22H14N2O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-(2-nitrophenyl)phenanthro[9,10-b]pyrrole.

Molecular Properties

Compound Name1-(2-nitrophenyl)phenanthro[9,10-b]pyrrole
PubChem CID150782131
Molecular FormulaC22H14N2O2
Molecular Weight338.37 g/mol
Exact Mass338.11
IUPAC Name1-(2-nitrophenyl)phenanthro[9,10-b]pyrrole
SMILESO=[N+]([O-])c1ccccc1-n1ccc2c3ccccc3c3ccccc3c21
InChIInChI=1S/C22H14N2O2/c25-24(26)21-12-6-5-11-20(21)23-14-13-19-17-9-2-1-7-15(17)16-8-3-4-10-18(16)22(19)23/h1-14H
InChIKeyKCCLRONGXFVQQR-UHFFFAOYSA-N
XLogP5.85
TPSA48.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.37
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,6-bis(2-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 634370
5-nitro-1-(2-nitrophenyl)indole
CID 86572839
1-(2-nitrophenyl)pyrrole-2-carboxamide
CID 172778071
ethane;1-[1-(2-nitrophenyl)pyrrol-2-yl]ethanone;prop-1-ene
CID 90730072
azanide;1,2-dinitrobenzene;platinum
CID 158959684
ethyl 1-(2-nitrophenyl)indole-3-carboxylate
CID 102028903
(2R,6R)-2,6-dimethyl-4-(2-nitrophenyl)morpholine
CID 7210197
1,5,9-trinitrotriphenylene
CID 86227277
ethane;1-(2-nitrophenyl)piperidine
CID 177332919
(2-nitrophenyl)methanol
CID 11923
1-nitronaphthalene;hydrate
CID 174470741
4-nitrophenanthrene
CID 139058403

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitrophenyl)phenanthro[9,10-b]pyrrole?
The IUPAC name of 1-(2-nitrophenyl)phenanthro[9,10-b]pyrrole (CID 150782131) is 1-(2-nitrophenyl)phenanthro[9,10-b]pyrrole.
What is the SMILES notation for 1-(2-nitrophenyl)phenanthro[9,10-b]pyrrole?
The canonical SMILES for 1-(2-nitrophenyl)phenanthro[9,10-b]pyrrole is O=[N+]([O-])c1ccccc1-n1ccc2c3ccccc3c3ccccc3c21.
What is the InChIKey of 1-(2-nitrophenyl)phenanthro[9,10-b]pyrrole?
The InChIKey is KCCLRONGXFVQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O2/c25-24(26)21-12-6-5-11-20(21)23-14-13-19-17-9-2-1-7-15(17)16-8-3-4-10-18(16)22(19)23/h1-14H.
What are the key properties of 1-(2-nitrophenyl)phenanthro[9,10-b]pyrrole?
1-(2-nitrophenyl)phenanthro[9,10-b]pyrrole has a molecular weight of 338.37 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)phenanthro[9,10-b]pyrrole is sourced from PubChem (CID 150782131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).