3-(4,4,10,13-tetramethyl-3-nitroso-1,2,3,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl)pyridine

C26H34N2O — CID 123259293

IUPAC3-(4,4,10,13-tetramethyl-3-nitroso-1,2,3,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl)pyridine
SMILESCC1(C)C2=CCC3C4CC=C(c5cccnc5)C4(C)CCC3C2(C)CCC1N=O
InChIInChI=1S/C26H34N2O/c1-24(2)22-10-7-18-20-9-8-19(17-6-5-15-27-16-17)25(20,3)13-11-21(18)26(22,4)14-12-23(24)28-29/h5-6,8,10,15-16,18,20-21,23H,7,9,11-14H2,1-4H3
InChIKeyGCRYIBIGNPSYHS-UHFFFAOYSA-N
MW390.57 g/mol
LogP6.81
Rot. Bonds2

About 3-(4,4,10,13-tetramethyl-3-nitroso-1,2,3,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl)pyridine

3-(4,4,10,13-tetramethyl-3-nitroso-1,2,3,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl)pyridine (PubChem CID 123259293) has the molecular formula C26H34N2O and a molecular weight of 390.57 g/mol. Its IUPAC name is 3-(4,4,10,13-tetramethyl-3-nitroso-1,2,3,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl)pyridine.

Molecular Properties

Compound Name3-(4,4,10,13-tetramethyl-3-nitroso-1,2,3,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl)pyridine
PubChem CID123259293
Molecular FormulaC26H34N2O
Molecular Weight390.57 g/mol
Exact Mass390.27
IUPAC Name3-(4,4,10,13-tetramethyl-3-nitroso-1,2,3,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl)pyridine
SMILESCC1(C)C2=CCC3C4CC=C(c5cccnc5)C4(C)CCC3C2(C)CCC1N=O
InChIInChI=1S/C26H34N2O/c1-24(2)22-10-7-18-20-9-8-19(17-6-5-15-27-16-17)25(20,3)13-11-21(18)26(22,4)14-12-23(24)28-29/h5-6,8,10,15-16,18,20-21,23H,7,9,11-14H2,1-4H3
InChIKeyGCRYIBIGNPSYHS-UHFFFAOYSA-N
XLogP6.81
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(4,4,10,13-tetramethyl-3-nitroso-1,2,3,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl)pyridine with MolForge

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Related Compounds

(3aS,9aR,9bS,11aS)-9a,11a-dimethyl-1-pyridin-3-yl-3,3a,3b,4,6,8,9,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one
CID 46205268
10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-amine
CID 123880316
(3S,8R,9R,10S,13S,14R)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 129460385
(2S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-2-amine
CID 118523835
3-[(3aS,3bS,5aS,8aS,8bR,10aS)-3a,5a-dimethyl-2-nitroso-1,2,3,3b,4,5,8,8a,8b,9,10,10a-dodecahydroindeno[5,4-e]inden-6-yl]pyridine
CID 123159977
[(8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
CID 71312701
(3aS,3bS,9aR,9bS,11aS)-6-ethyl-9a,11a-dimethyl-1-pyridin-3-yl-3a,3b,4,8,9,9b,10,11-octahydro-3H-indeno[5,4-f]quinolin-7-one
CID 46205920
(2R,11S,12S,16S)-2,16-dimethyl-15-pyridin-3-yl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-ene
CID 57386694
acetic acid;(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol;sulfuric acid
CID 118519968
3-[10,13-dimethyl-3-(2-methylprop-2-enyl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pyridine;ethane
CID 171539051
(8S,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-1-ol
CID 135359162
[(8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] propanoate
CID 144878648

Frequently Asked Questions

What is the IUPAC name of 3-(4,4,10,13-tetramethyl-3-nitroso-1,2,3,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl)pyridine?
The IUPAC name of 3-(4,4,10,13-tetramethyl-3-nitroso-1,2,3,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl)pyridine (CID 123259293) is 3-(4,4,10,13-tetramethyl-3-nitroso-1,2,3,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl)pyridine.
What is the SMILES notation for 3-(4,4,10,13-tetramethyl-3-nitroso-1,2,3,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl)pyridine?
The canonical SMILES for 3-(4,4,10,13-tetramethyl-3-nitroso-1,2,3,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl)pyridine is CC1(C)C2=CCC3C4CC=C(c5cccnc5)C4(C)CCC3C2(C)CCC1N=O.
What is the InChIKey of 3-(4,4,10,13-tetramethyl-3-nitroso-1,2,3,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl)pyridine?
The InChIKey is GCRYIBIGNPSYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O/c1-24(2)22-10-7-18-20-9-8-19(17-6-5-15-27-16-17)25(20,3)13-11-21(18)26(22,4)14-12-23(24)28-29/h5-6,8,10,15-16,18,20-21,23H,7,9,11-14H2,1-4H3.
What are the key properties of 3-(4,4,10,13-tetramethyl-3-nitroso-1,2,3,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl)pyridine?
3-(4,4,10,13-tetramethyl-3-nitroso-1,2,3,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl)pyridine has a molecular weight of 390.57 g/mol, XLogP of 6.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,10,13-tetramethyl-3-nitroso-1,2,3,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl)pyridine is sourced from PubChem (CID 123259293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).