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

C34H37NO6 — CID 127030796

IUPAC8,9-bis[(3,5-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine
SMILESCCc1cccc2c1N(C)Cc1cc(OCc3cc(OC)cc(OC)c3)c(OCc3cc(OC)cc(OC)c3)cc1-2
InChIInChI=1S/C34H37NO6/c1-7-24-9-8-10-30-31-18-33(41-21-23-13-28(38-5)17-29(14-23)39-6)32(15-25(31)19-35(2)34(24)30)40-20-22-11-26(36-3)16-27(12-22)37-4/h8-18H,7,19-21H2,1-6H3
InChIKeyCZQLZOVXGDZPNA-UHFFFAOYSA-N
MW555.67 g/mol
LogP7.06
Rot. Bonds11

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

8,9-bis[(3,5-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine (PubChem CID 127030796) has the molecular formula C34H37NO6 and a molecular weight of 555.67 g/mol. Its IUPAC name is 8,9-bis[(3,5-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine.

Molecular Properties

Compound Name8,9-bis[(3,5-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine
PubChem CID127030796
Molecular FormulaC34H37NO6
Molecular Weight555.67 g/mol
Exact Mass555.26
IUPAC Name8,9-bis[(3,5-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine
SMILESCCc1cccc2c1N(C)Cc1cc(OCc3cc(OC)cc(OC)c3)c(OCc3cc(OC)cc(OC)c3)cc1-2
InChIInChI=1S/C34H37NO6/c1-7-24-9-8-10-30-31-18-33(41-21-23-13-28(38-5)17-29(14-23)39-6)32(15-25(31)19-35(2)34(24)30)40-20-22-11-26(36-3)16-27(12-22)37-4/h8-18H,7,19-21H2,1-6H3
InChIKeyCZQLZOVXGDZPNA-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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Frequently Asked Questions

What is the IUPAC name of 8,9-bis[(3,5-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine?
The IUPAC name of 8,9-bis[(3,5-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine (CID 127030796) is 8,9-bis[(3,5-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine.
What is the SMILES notation for 8,9-bis[(3,5-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine?
The canonical SMILES for 8,9-bis[(3,5-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine is CCc1cccc2c1N(C)Cc1cc(OCc3cc(OC)cc(OC)c3)c(OCc3cc(OC)cc(OC)c3)cc1-2.
What is the InChIKey of 8,9-bis[(3,5-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine?
The InChIKey is CZQLZOVXGDZPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37NO6/c1-7-24-9-8-10-30-31-18-33(41-21-23-13-28(38-5)17-29(14-23)39-6)32(15-25(31)19-35(2)34(24)30)40-20-22-11-26(36-3)16-27(12-22)37-4/h8-18H,7,19-21H2,1-6H3.
What are the key properties of 8,9-bis[(3,5-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine?
8,9-bis[(3,5-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[(3,5-dimethoxyphenyl)methoxy]-4-ethyl-5-methyl-6H-phenanthridine is sourced from PubChem (CID 127030796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).