(9S,10S)-10-(4-nitroanilino)-9,10-dihydrophenanthren-9-ol

C20H16N2O3 — CID 11110369

IUPAC(9S,10S)-10-(4-nitroanilino)-9,10-dihydrophenanthren-9-ol
SMILESO=[N+]([O-])c1ccc(N[C@H]2c3ccccc3-c3ccccc3[C@@H]2O)cc1
InChIInChI=1S/C20H16N2O3/c23-20-18-8-4-2-6-16(18)15-5-1-3-7-17(15)19(20)21-13-9-11-14(12-10-13)22(24)25/h1-12,19-21,23H/t19-,20-/m0/s1
InChIKeyROZBNRAWJUNORN-PMACEKPBSA-N
MW332.36 g/mol
LogP4.46
Rot. Bonds3

About (9S,10S)-10-(4-nitroanilino)-9,10-dihydrophenanthren-9-ol

(9S,10S)-10-(4-nitroanilino)-9,10-dihydrophenanthren-9-ol (PubChem CID 11110369) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is (9S,10S)-10-(4-nitroanilino)-9,10-dihydrophenanthren-9-ol.

Molecular Properties

Compound Name(9S,10S)-10-(4-nitroanilino)-9,10-dihydrophenanthren-9-ol
PubChem CID11110369
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name(9S,10S)-10-(4-nitroanilino)-9,10-dihydrophenanthren-9-ol
SMILESO=[N+]([O-])c1ccc(N[C@H]2c3ccccc3-c3ccccc3[C@@H]2O)cc1
InChIInChI=1S/C20H16N2O3/c23-20-18-8-4-2-6-16(18)15-5-1-3-7-17(15)19(20)21-13-9-11-14(12-10-13)22(24)25/h1-12,19-21,23H/t19-,20-/m0/s1
InChIKeyROZBNRAWJUNORN-PMACEKPBSA-N
XLogP4.46
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.46
H-Bond Donors ≤ 52
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'}

Analyze (9S,10S)-10-(4-nitroanilino)-9,10-dihydrophenanthren-9-ol 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

6-(4-nitroanilino)-5,6-dihydro-1,10-phenanthrolin-5-ol
CID 102460072
(3S)-3-(4-nitroanilino)-3H-2-benzofuran-1-one
CID 7460415
9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate
CID 14482307
9-(4-nitrophenoxy)-9H-fluorene
CID 7892468
(3S,4R)-4-(4-nitroanilino)-1,1-dioxothiolan-3-ol
CID 18801486
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
9H-fluoren-9-ylmethyl N-[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl]carbamate
CID 134838961
4-anilino-6-(4-nitroanilino)-1,3,5-triazinan-2-one
CID 78295164
2-(4-nitroanilino)phenol
CID 14224817
1-N-(4-nitrophenyl)cyclopropane-1,2-diamine
CID 43598872
N-bromo-4-nitroaniline
CID 54285277
[(3aR,4R,9aS)-4-(4-nitroanilino)-3,3a,4,9a-tetrahydro-2H-chromeno[2,3-b]pyrrol-1-yl]-phenylmethanone
CID 122218167

Frequently Asked Questions

What is the IUPAC name of (9S,10S)-10-(4-nitroanilino)-9,10-dihydrophenanthren-9-ol?
The IUPAC name of (9S,10S)-10-(4-nitroanilino)-9,10-dihydrophenanthren-9-ol (CID 11110369) is (9S,10S)-10-(4-nitroanilino)-9,10-dihydrophenanthren-9-ol.
What is the SMILES notation for (9S,10S)-10-(4-nitroanilino)-9,10-dihydrophenanthren-9-ol?
The canonical SMILES for (9S,10S)-10-(4-nitroanilino)-9,10-dihydrophenanthren-9-ol is O=[N+]([O-])c1ccc(N[C@H]2c3ccccc3-c3ccccc3[C@@H]2O)cc1.
What is the InChIKey of (9S,10S)-10-(4-nitroanilino)-9,10-dihydrophenanthren-9-ol?
The InChIKey is ROZBNRAWJUNORN-PMACEKPBSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-20-18-8-4-2-6-16(18)15-5-1-3-7-17(15)19(20)21-13-9-11-14(12-10-13)22(24)25/h1-12,19-21,23H/t19-,20-/m0/s1.
What are the key properties of (9S,10S)-10-(4-nitroanilino)-9,10-dihydrophenanthren-9-ol?
(9S,10S)-10-(4-nitroanilino)-9,10-dihydrophenanthren-9-ol has a molecular weight of 332.36 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9S,10S)-10-(4-nitroanilino)-9,10-dihydrophenanthren-9-ol is sourced from PubChem (CID 11110369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).