(7Z,20Z)-12,25-dimethoxy-8,21-diphenyl-2,6,15,19-tetraoxa-7,20-diazatricyclo[20.4.0.09,14]hexacosa-1(22),7,9(14),10,12,20,23,25-octaene

C34H34N2O6 — CID 5385085

IUPAC(7Z,20Z)-12,25-dimethoxy-8,21-diphenyl-2,6,15,19-tetraoxa-7,20-diazatricyclo[20.4.0.09,14]hexacosa-1(22),7,9(14),10,12,20,23,25-octaene
SMILESCOc1ccc2c(c1)OCCCO/N=C(\c1ccccc1)c1ccc(OC)cc1OCCCO/N=C/2c1ccccc1
InChIInChI=1S/C34H34N2O6/c1-37-27-15-17-29-31(23-27)39-19-9-21-42-36-34(26-13-7-4-8-14-26)30-18-16-28(38-2)24-32(30)40-20-10-22-41-35-33(29)25-11-5-3-6-12-25/h3-8,11-18,23-24H,9-10,19-22H2,1-2H3/b35-33+,36-34+
InChIKeyYRGGQYPLKVORQV-LBYUQGKWSA-N
MW566.65 g/mol
LogP6.49
Rot. Bonds4

About (7Z,20Z)-12,25-dimethoxy-8,21-diphenyl-2,6,15,19-tetraoxa-7,20-diazatricyclo[20.4.0.09,14]hexacosa-1(22),7,9(14),10,12,20,23,25-octaene

(7Z,20Z)-12,25-dimethoxy-8,21-diphenyl-2,6,15,19-tetraoxa-7,20-diazatricyclo[20.4.0.09,14]hexacosa-1(22),7,9(14),10,12,20,23,25-octaene (PubChem CID 5385085) has the molecular formula C34H34N2O6 and a molecular weight of 566.65 g/mol. Its IUPAC name is (7Z,20Z)-12,25-dimethoxy-8,21-diphenyl-2,6,15,19-tetraoxa-7,20-diazatricyclo[20.4.0.09,14]hexacosa-1(22),7,9(14),10,12,20,23,25-octaene.

Molecular Properties

Compound Name(7Z,20Z)-12,25-dimethoxy-8,21-diphenyl-2,6,15,19-tetraoxa-7,20-diazatricyclo[20.4.0.09,14]hexacosa-1(22),7,9(14),10,12,20,23,25-octaene
PubChem CID5385085
Molecular FormulaC34H34N2O6
Molecular Weight566.65 g/mol
Exact Mass566.24
IUPAC Name(7Z,20Z)-12,25-dimethoxy-8,21-diphenyl-2,6,15,19-tetraoxa-7,20-diazatricyclo[20.4.0.09,14]hexacosa-1(22),7,9(14),10,12,20,23,25-octaene
SMILESCOc1ccc2c(c1)OCCCO/N=C(\c1ccccc1)c1ccc(OC)cc1OCCCO/N=C/2c1ccccc1
InChIInChI=1S/C34H34N2O6/c1-37-27-15-17-29-31(23-27)39-19-9-21-42-36-34(26-13-7-4-8-14-26)30-18-16-28(38-2)24-32(30)40-20-10-22-41-35-33(29)25-11-5-3-6-12-25/h3-8,11-18,23-24H,9-10,19-22H2,1-2H3/b35-33+,36-34+
InChIKeyYRGGQYPLKVORQV-LBYUQGKWSA-N
XLogP6.49
TPSA80.10 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.65
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (7Z,20Z)-12,25-dimethoxy-8,21-diphenyl-2,6,15,19-tetraoxa-7,20-diazatricyclo[20.4.0.09,14]hexacosa-1(22),7,9(14),10,12,20,23,25-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7Z,20Z)-12,25-dimethoxy-8,21-diphenyl-2,6,15,19-tetraoxa-7,20-diazatricyclo[20.4.0.09,14]hexacosa-1(22),7,9(14),10,12,20,23,25-octaene?
The IUPAC name of (7Z,20Z)-12,25-dimethoxy-8,21-diphenyl-2,6,15,19-tetraoxa-7,20-diazatricyclo[20.4.0.09,14]hexacosa-1(22),7,9(14),10,12,20,23,25-octaene (CID 5385085) is (7Z,20Z)-12,25-dimethoxy-8,21-diphenyl-2,6,15,19-tetraoxa-7,20-diazatricyclo[20.4.0.09,14]hexacosa-1(22),7,9(14),10,12,20,23,25-octaene.
What is the SMILES notation for (7Z,20Z)-12,25-dimethoxy-8,21-diphenyl-2,6,15,19-tetraoxa-7,20-diazatricyclo[20.4.0.09,14]hexacosa-1(22),7,9(14),10,12,20,23,25-octaene?
The canonical SMILES for (7Z,20Z)-12,25-dimethoxy-8,21-diphenyl-2,6,15,19-tetraoxa-7,20-diazatricyclo[20.4.0.09,14]hexacosa-1(22),7,9(14),10,12,20,23,25-octaene is COc1ccc2c(c1)OCCCO/N=C(\c1ccccc1)c1ccc(OC)cc1OCCCO/N=C/2c1ccccc1.
What is the InChIKey of (7Z,20Z)-12,25-dimethoxy-8,21-diphenyl-2,6,15,19-tetraoxa-7,20-diazatricyclo[20.4.0.09,14]hexacosa-1(22),7,9(14),10,12,20,23,25-octaene?
The InChIKey is YRGGQYPLKVORQV-LBYUQGKWSA-N. The full InChI is InChI=1S/C34H34N2O6/c1-37-27-15-17-29-31(23-27)39-19-9-21-42-36-34(26-13-7-4-8-14-26)30-18-16-28(38-2)24-32(30)40-20-10-22-41-35-33(29)25-11-5-3-6-12-25/h3-8,11-18,23-24H,9-10,19-22H2,1-2H3/b35-33+,36-34+.
What are the key properties of (7Z,20Z)-12,25-dimethoxy-8,21-diphenyl-2,6,15,19-tetraoxa-7,20-diazatricyclo[20.4.0.09,14]hexacosa-1(22),7,9(14),10,12,20,23,25-octaene?
(7Z,20Z)-12,25-dimethoxy-8,21-diphenyl-2,6,15,19-tetraoxa-7,20-diazatricyclo[20.4.0.09,14]hexacosa-1(22),7,9(14),10,12,20,23,25-octaene has a molecular weight of 566.65 g/mol, XLogP of 6.49, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,20Z)-12,25-dimethoxy-8,21-diphenyl-2,6,15,19-tetraoxa-7,20-diazatricyclo[20.4.0.09,14]hexacosa-1(22),7,9(14),10,12,20,23,25-octaene is sourced from PubChem (CID 5385085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).