8,9-bis[(2,3-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine

C34H37NO6 — CID 118954387

IUPAC8,9-bis[(2,3-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine
SMILESCCc1cccc2c1N(C)Cc1cc(OCc3cccc(OC)c3OC)c(OCc3cccc(OC)c3OC)cc1-2
InChIInChI=1S/C34H37NO6/c1-7-22-11-8-14-26-27-18-31(41-21-24-13-10-16-29(37-4)34(24)39-6)30(17-25(27)19-35(2)32(22)26)40-20-23-12-9-15-28(36-3)33(23)38-5/h8-18H,7,19-21H2,1-6H3
InChIKeyGRMMMVINVJDMDG-UHFFFAOYSA-N
MW555.67 g/mol
LogP7.06
Rot. Bonds11

About 8,9-bis[(2,3-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine

8,9-bis[(2,3-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine (PubChem CID 118954387) has the molecular formula C34H37NO6 and a molecular weight of 555.67 g/mol. Its IUPAC name is 8,9-bis[(2,3-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine.

Molecular Properties

Compound Name8,9-bis[(2,3-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine
PubChem CID118954387
Molecular FormulaC34H37NO6
Molecular Weight555.67 g/mol
Exact Mass555.26
IUPAC Name8,9-bis[(2,3-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine
SMILESCCc1cccc2c1N(C)Cc1cc(OCc3cccc(OC)c3OC)c(OCc3cccc(OC)c3OC)cc1-2
InChIInChI=1S/C34H37NO6/c1-7-22-11-8-14-26-27-18-31(41-21-24-13-10-16-29(37-4)34(24)39-6)30(17-25(27)19-35(2)32(22)26)40-20-23-12-9-15-28(36-3)33(23)38-5/h8-18H,7,19-21H2,1-6H3
InChIKeyGRMMMVINVJDMDG-UHFFFAOYSA-N
XLogP7.06
TPSA58.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.67
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2,3-dimethoxyphenyl)methoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
CID 156892023
8,9-dimethoxy-5-methyl-4-[(E)-prop-1-enyl]-6H-phenanthridine
CID 155017340
2-[4-[[7-[[1-(2-aminoethyl)triazol-4-yl]methoxy]-4-ethyl-5-methyl-6H-phenanthridin-8-yl]oxymethyl]triazol-1-yl]ethanamine
CID 132934378
1-[(2-ethylphenoxy)methyl]-2-fluoro-3-methoxybenzene
CID 104795197
(3Z)-3-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-1-propylindol-2-one
CID 126119197
ethane;1-ethyl-2-methoxy-3-propoxybenzene
CID 143988437
4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid
CID 20986648
2-cyclopentyloxy-1-ethyl-3-methoxybenzene
CID 90711986
ethyl 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoate
CID 91682838
4-[(2-fluoro-3-methoxyphenyl)methoxy]-2,3-dihydroinden-1-one
CID 104792196
2-(2-ethylphenyl)-7-methoxy-1-benzofuran
CID 22734156
propan-2-yl (2,3-dimethoxyphenyl)methanesulfonate
CID 22901832

Frequently Asked Questions

What is the IUPAC name of 8,9-bis[(2,3-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine?
The IUPAC name of 8,9-bis[(2,3-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine (CID 118954387) is 8,9-bis[(2,3-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine.
What is the SMILES notation for 8,9-bis[(2,3-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine?
The canonical SMILES for 8,9-bis[(2,3-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine is CCc1cccc2c1N(C)Cc1cc(OCc3cccc(OC)c3OC)c(OCc3cccc(OC)c3OC)cc1-2.
What is the InChIKey of 8,9-bis[(2,3-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine?
The InChIKey is GRMMMVINVJDMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37NO6/c1-7-22-11-8-14-26-27-18-31(41-21-24-13-10-16-29(37-4)34(24)39-6)30(17-25(27)19-35(2)32(22)26)40-20-23-12-9-15-28(36-3)33(23)38-5/h8-18H,7,19-21H2,1-6H3.
What are the key properties of 8,9-bis[(2,3-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine?
8,9-bis[(2,3-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine has a molecular weight of 555.67 g/mol, XLogP of 7.06, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-bis[(2,3-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine is sourced from PubChem (CID 118954387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).