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

C24H29NO4 — CID 71450218

IUPAC6,7,10,11-tetramethoxy-2-propan-2-yl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine
SMILESCOc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN(C(C)C)CC3
InChIInChI=1S/C24H29NO4/c1-14(2)25-8-7-15-16-9-21(26-3)22(27-4)10-17(16)18-11-23(28-5)24(29-6)12-19(18)20(15)13-25/h9-12,14H,7-8,13H2,1-6H3
InChIKeyYIPIINKKAYVXRA-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.79
Rot. Bonds5

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

6,7,10,11-tetramethoxy-2-propan-2-yl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine (PubChem CID 71450218) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is 6,7,10,11-tetramethoxy-2-propan-2-yl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine.

Molecular Properties

Compound Name6,7,10,11-tetramethoxy-2-propan-2-yl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine
PubChem CID71450218
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name6,7,10,11-tetramethoxy-2-propan-2-yl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine
SMILESCOc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN(C(C)C)CC3
InChIInChI=1S/C24H29NO4/c1-14(2)25-8-7-15-16-9-21(26-3)22(27-4)10-17(16)18-11-23(28-5)24(29-6)12-19(18)20(15)13-25/h9-12,14H,7-8,13H2,1-6H3
InChIKeyYIPIINKKAYVXRA-UHFFFAOYSA-N
XLogP4.79
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,7,10,11-tetramethoxy-2-propan-2-yl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine?
The IUPAC name of 6,7,10,11-tetramethoxy-2-propan-2-yl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine (CID 71450218) is 6,7,10,11-tetramethoxy-2-propan-2-yl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine.
What is the SMILES notation for 6,7,10,11-tetramethoxy-2-propan-2-yl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine?
The canonical SMILES for 6,7,10,11-tetramethoxy-2-propan-2-yl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine is COc1cc2c3c(c4cc(OC)c(OC)cc4c2cc1OC)CN(C(C)C)CC3.
What is the InChIKey of 6,7,10,11-tetramethoxy-2-propan-2-yl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine?
The InChIKey is YIPIINKKAYVXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4/c1-14(2)25-8-7-15-16-9-21(26-3)22(27-4)10-17(16)18-11-23(28-5)24(29-6)12-19(18)20(15)13-25/h9-12,14H,7-8,13H2,1-6H3.
What are the key properties of 6,7,10,11-tetramethoxy-2-propan-2-yl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine?
6,7,10,11-tetramethoxy-2-propan-2-yl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine has a molecular weight of 395.50 g/mol, XLogP of 4.79, 5 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-propan-2-yl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine is sourced from PubChem (CID 71450218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).