6,7,10,11-tetramethoxy-2-pentyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine

C26H33NO4 — CID 71450217

IUPAC6,7,10,11-tetramethoxy-2-pentyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine
SMILESCCCCCN1CCc2c(c3cc(OC)c(OC)cc3c3cc(OC)c(OC)cc23)C1
InChIInChI=1S/C26H33NO4/c1-6-7-8-10-27-11-9-17-18-12-23(28-2)24(29-3)13-19(18)20-14-25(30-4)26(31-5)15-21(20)22(17)16-27/h12-15H,6-11,16H2,1-5H3
InChIKeyBHDWBMZEJBJSMA-UHFFFAOYSA-N
MW423.55 g/mol
LogP5.58
Rot. Bonds8

About 6,7,10,11-tetramethoxy-2-pentyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine

6,7,10,11-tetramethoxy-2-pentyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine (PubChem CID 71450217) has the molecular formula C26H33NO4 and a molecular weight of 423.55 g/mol. Its IUPAC name is 6,7,10,11-tetramethoxy-2-pentyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine.

Molecular Properties

Compound Name6,7,10,11-tetramethoxy-2-pentyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine
PubChem CID71450217
Molecular FormulaC26H33NO4
Molecular Weight423.55 g/mol
Exact Mass423.24
IUPAC Name6,7,10,11-tetramethoxy-2-pentyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine
SMILESCCCCCN1CCc2c(c3cc(OC)c(OC)cc3c3cc(OC)c(OC)cc23)C1
InChIInChI=1S/C26H33NO4/c1-6-7-8-10-27-11-9-17-18-12-23(28-2)24(29-3)13-19(18)20-14-25(30-4)26(31-5)15-21(20)22(17)16-27/h12-15H,6-11,16H2,1-5H3
InChIKeyBHDWBMZEJBJSMA-UHFFFAOYSA-N
XLogP5.58
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.55
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6,7-dimethoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 22673
6,7,10,11-tetramethoxy-8-methyl-2-propyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine
CID 88926885
8-chloro-7-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 174381587
5-methyl-3-[(6,7,10,11-tetramethoxy-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-2-yl)methyl]-1,2-oxazole
CID 71458168
6,7,10,11-tetramethoxy-2-propan-2-yl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine
CID 71450218
6-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline
CID 68537922
[10-(hydroxymethyl)-6,11-dimethoxy-2-(2-methylpropyl)-3,4-dihydro-1H-phenanthro[9,10-c]pyridin-7-yl]methanol
CID 58349663
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]butan-1-amine
CID 62573755
8-bromo-7-methoxy-2-pentyl-3,4-dihydro-1H-isoquinoline;4-methoxy-3-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 174343825
2,7-dimethoxy-3,6,10,11-tetrapentoxytriphenylene
CID 10054806
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)hexan-3-one
CID 106801127
2-octyl-3,4-dihydro-1H-isoquinoline-5,7-diol
CID 141100794

Frequently Asked Questions

What is the IUPAC name of 6,7,10,11-tetramethoxy-2-pentyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine?
The IUPAC name of 6,7,10,11-tetramethoxy-2-pentyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine (CID 71450217) is 6,7,10,11-tetramethoxy-2-pentyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine.
What is the SMILES notation for 6,7,10,11-tetramethoxy-2-pentyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine?
The canonical SMILES for 6,7,10,11-tetramethoxy-2-pentyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine is CCCCCN1CCc2c(c3cc(OC)c(OC)cc3c3cc(OC)c(OC)cc23)C1.
What is the InChIKey of 6,7,10,11-tetramethoxy-2-pentyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine?
The InChIKey is BHDWBMZEJBJSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33NO4/c1-6-7-8-10-27-11-9-17-18-12-23(28-2)24(29-3)13-19(18)20-14-25(30-4)26(31-5)15-21(20)22(17)16-27/h12-15H,6-11,16H2,1-5H3.
What are the key properties of 6,7,10,11-tetramethoxy-2-pentyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine?
6,7,10,11-tetramethoxy-2-pentyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine has a molecular weight of 423.55 g/mol, XLogP of 5.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,10,11-tetramethoxy-2-pentyl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine is sourced from PubChem (CID 71450217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).