4,5,16,17-tetramethoxy-12,24-diphenyl-10,12,22,24-tetrazahexacyclo[11.11.0.01,10.02,7.013,22.014,19]tetracosa-2,4,6,14,16,18-hexaene-11,23-dione

C36H34N4O6 — CID 101079633

IUPAC4,5,16,17-tetramethoxy-12,24-diphenyl-10,12,22,24-tetrazahexacyclo[11.11.0.01,10.02,7.013,22.014,19]tetracosa-2,4,6,14,16,18-hexaene-11,23-dione
SMILESCOc1cc2c(cc1OC)C13N(CC2)C(=O)N(c2ccccc2)C12c1cc(OC)c(OC)cc1CCN2C(=O)N3c1ccccc1
InChIInChI=1S/C36H34N4O6/c1-43-29-19-23-15-17-37-33(41)40(26-13-9-6-10-14-26)36-28-22-32(46-4)30(44-2)20-24(28)16-18-38(36)34(42)39(25-11-7-5-8-12-25)35(36,37)27(23)21-31(29)45-3/h5-14,19-22H,15-18H2,1-4H3
InChIKeyVMJXCPGCPFCTOB-UHFFFAOYSA-N
MW618.69 g/mol
LogP5.72
Rot. Bonds6

About 4,5,16,17-tetramethoxy-12,24-diphenyl-10,12,22,24-tetrazahexacyclo[11.11.0.01,10.02,7.013,22.014,19]tetracosa-2,4,6,14,16,18-hexaene-11,23-dione

4,5,16,17-tetramethoxy-12,24-diphenyl-10,12,22,24-tetrazahexacyclo[11.11.0.01,10.02,7.013,22.014,19]tetracosa-2,4,6,14,16,18-hexaene-11,23-dione (PubChem CID 101079633) has the molecular formula C36H34N4O6 and a molecular weight of 618.69 g/mol. Its IUPAC name is 4,5,16,17-tetramethoxy-12,24-diphenyl-10,12,22,24-tetrazahexacyclo[11.11.0.01,10.02,7.013,22.014,19]tetracosa-2,4,6,14,16,18-hexaene-11,23-dione.

Molecular Properties

Compound Name4,5,16,17-tetramethoxy-12,24-diphenyl-10,12,22,24-tetrazahexacyclo[11.11.0.01,10.02,7.013,22.014,19]tetracosa-2,4,6,14,16,18-hexaene-11,23-dione
PubChem CID101079633
Molecular FormulaC36H34N4O6
Molecular Weight618.69 g/mol
Exact Mass618.25
IUPAC Name4,5,16,17-tetramethoxy-12,24-diphenyl-10,12,22,24-tetrazahexacyclo[11.11.0.01,10.02,7.013,22.014,19]tetracosa-2,4,6,14,16,18-hexaene-11,23-dione
SMILESCOc1cc2c(cc1OC)C13N(CC2)C(=O)N(c2ccccc2)C12c1cc(OC)c(OC)cc1CCN2C(=O)N3c1ccccc1
InChIInChI=1S/C36H34N4O6/c1-43-29-19-23-15-17-37-33(41)40(26-13-9-6-10-14-26)36-28-22-32(46-4)30(44-2)20-24(28)16-18-38(36)34(42)39(25-11-7-5-8-12-25)35(36,37)27(23)21-31(29)45-3/h5-14,19-22H,15-18H2,1-4H3
InChIKeyVMJXCPGCPFCTOB-UHFFFAOYSA-N
XLogP5.72
TPSA84.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.69
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,5,16,17-tetramethoxy-12,24-diphenyl-10,12,22,24-tetrazahexacyclo[11.11.0.01,10.02,7.013,22.014,19]tetracosa-2,4,6,14,16,18-hexaene-11,23-dione with MolForge

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Related Compounds

8,9-dimethoxy-10b-methyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one
CID 15834177
1,1-dichloro-9b-(1-chloroethyl)-7,8-dimethoxy-4,5-dihydroazeto[2,1-a]isoquinolin-2-one
CID 11793180
(3S,11bS)-11b-benzyl-9,10-dimethoxy-2-methyl-3-propan-2-yl-6,7-dihydro-3H-pyrazino[2,1-a]isoquinoline-1,4-dione
CID 101134435
(1R,10bR)-1-benzyl-10b-butyl-8,9-dimethoxy-1-methyl-5,6-dihydro-[1,3]thiazolo[4,3-a]isoquinolin-3-one
CID 10670080
(1R)-6,7-dimethoxy-1-methyl-2-[(1R)-1-phenylethyl]-3,4-dihydroisoquinoline-1-carbonitrile
CID 46915009
10b-butyl-8,9-dimethoxy-1,1,2-trimethyl-5,6-dihydroimidazo[5,1-a]isoquinolin-3-one
CID 102001951
3-fluoro-8,9-dimethoxy-10b-phenyl-5,6-dihydro-1H-pyrrolo[2,1-a]isoquinoline-1,2-dicarbonitrile
CID 72777048
7-methoxy-8-methyl-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 57012678
1,2-bis(3,4-dimethoxyphenyl)-10b-hydroxy-8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinolin-3-one
CID 102406939
(1S,13R)-4,5-dimethoxy-14-oxa-10-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-triene-11,15-dione
CID 11808847
(1S,10bS)-8,9-dimethoxy-1,10b-dimethyl-1-pyridin-3-yl-5,6-dihydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one
CID 7327784
2-benzoyl-6,7-dimethoxy-1-phenyl-3,4-dihydroisoquinoline-1-carbaldehyde
CID 102421500

Frequently Asked Questions

What is the IUPAC name of 4,5,16,17-tetramethoxy-12,24-diphenyl-10,12,22,24-tetrazahexacyclo[11.11.0.01,10.02,7.013,22.014,19]tetracosa-2,4,6,14,16,18-hexaene-11,23-dione?
The IUPAC name of 4,5,16,17-tetramethoxy-12,24-diphenyl-10,12,22,24-tetrazahexacyclo[11.11.0.01,10.02,7.013,22.014,19]tetracosa-2,4,6,14,16,18-hexaene-11,23-dione (CID 101079633) is 4,5,16,17-tetramethoxy-12,24-diphenyl-10,12,22,24-tetrazahexacyclo[11.11.0.01,10.02,7.013,22.014,19]tetracosa-2,4,6,14,16,18-hexaene-11,23-dione.
What is the SMILES notation for 4,5,16,17-tetramethoxy-12,24-diphenyl-10,12,22,24-tetrazahexacyclo[11.11.0.01,10.02,7.013,22.014,19]tetracosa-2,4,6,14,16,18-hexaene-11,23-dione?
The canonical SMILES for 4,5,16,17-tetramethoxy-12,24-diphenyl-10,12,22,24-tetrazahexacyclo[11.11.0.01,10.02,7.013,22.014,19]tetracosa-2,4,6,14,16,18-hexaene-11,23-dione is COc1cc2c(cc1OC)C13N(CC2)C(=O)N(c2ccccc2)C12c1cc(OC)c(OC)cc1CCN2C(=O)N3c1ccccc1.
What is the InChIKey of 4,5,16,17-tetramethoxy-12,24-diphenyl-10,12,22,24-tetrazahexacyclo[11.11.0.01,10.02,7.013,22.014,19]tetracosa-2,4,6,14,16,18-hexaene-11,23-dione?
The InChIKey is VMJXCPGCPFCTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N4O6/c1-43-29-19-23-15-17-37-33(41)40(26-13-9-6-10-14-26)36-28-22-32(46-4)30(44-2)20-24(28)16-18-38(36)34(42)39(25-11-7-5-8-12-25)35(36,37)27(23)21-31(29)45-3/h5-14,19-22H,15-18H2,1-4H3.
What are the key properties of 4,5,16,17-tetramethoxy-12,24-diphenyl-10,12,22,24-tetrazahexacyclo[11.11.0.01,10.02,7.013,22.014,19]tetracosa-2,4,6,14,16,18-hexaene-11,23-dione?
4,5,16,17-tetramethoxy-12,24-diphenyl-10,12,22,24-tetrazahexacyclo[11.11.0.01,10.02,7.013,22.014,19]tetracosa-2,4,6,14,16,18-hexaene-11,23-dione has a molecular weight of 618.69 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,16,17-tetramethoxy-12,24-diphenyl-10,12,22,24-tetrazahexacyclo[11.11.0.01,10.02,7.013,22.014,19]tetracosa-2,4,6,14,16,18-hexaene-11,23-dione is sourced from PubChem (CID 101079633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).