4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene

C28H22N6O4 — CID 59650549

IUPAC4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene
SMILESCOc1nc2c3nc(OC)c(OC)nc3c3nc(-c4ccccc4)c(-c4ccccc4)nc3c2nc1OC
InChIInChI=1S/C28H22N6O4/c1-35-25-27(37-3)33-23-21(31-25)19-20(22-24(23)34-28(38-4)26(32-22)36-2)30-18(16-13-9-6-10-14-16)17(29-19)15-11-7-5-8-12-15/h5-14H,1-4H3
InChIKeyRCUCHLZIFYDRHJ-UHFFFAOYSA-N
MW506.52 g/mol
LogP4.88
Rot. Bonds6

About 4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene

4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene (PubChem CID 59650549) has the molecular formula C28H22N6O4 and a molecular weight of 506.52 g/mol. Its IUPAC name is 4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene.

Molecular Properties

Compound Name4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene
PubChem CID59650549
Molecular FormulaC28H22N6O4
Molecular Weight506.52 g/mol
Exact Mass506.17
IUPAC Name4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene
SMILESCOc1nc2c3nc(OC)c(OC)nc3c3nc(-c4ccccc4)c(-c4ccccc4)nc3c2nc1OC
InChIInChI=1S/C28H22N6O4/c1-35-25-27(37-3)33-23-21(31-25)19-20(22-24(23)34-28(38-4)26(32-22)36-2)30-18(16-13-9-6-10-14-16)17(29-19)15-11-7-5-8-12-15/h5-14H,1-4H3
InChIKeyRCUCHLZIFYDRHJ-UHFFFAOYSA-N
XLogP4.88
TPSA114.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.52
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene?
The IUPAC name of 4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene (CID 59650549) is 4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene.
What is the SMILES notation for 4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene?
The canonical SMILES for 4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene is COc1nc2c3nc(OC)c(OC)nc3c3nc(-c4ccccc4)c(-c4ccccc4)nc3c2nc1OC.
What is the InChIKey of 4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene?
The InChIKey is RCUCHLZIFYDRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N6O4/c1-35-25-27(37-3)33-23-21(31-25)19-20(22-24(23)34-28(38-4)26(32-22)36-2)30-18(16-13-9-6-10-14-16)17(29-19)15-11-7-5-8-12-15/h5-14H,1-4H3.
What are the key properties of 4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene?
4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene has a molecular weight of 506.52 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,10,11-tetramethoxy-16,17-diphenyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8(13),9,11,15,17-nonaene is sourced from PubChem (CID 59650549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).