15-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-8-yl)-3-oxa-12,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene

C43H24N4O2 — CID 118506513

IUPAC15-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-8-yl)-3-oxa-12,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)c3c(n2)oc2c(-n4c5ccccc5c5ccc6c(ncc7c8ccccc8oc76)c54)cccc23)cc1
InChIInChI=1S/C43H24N4O2/c1-3-12-25(13-4-1)37-36-30-18-11-20-34(41(30)49-43(36)46-42(45-37)26-14-5-2-6-15-26)47-33-19-9-7-16-27(33)29-22-23-31-38(39(29)47)44-24-32-28-17-8-10-21-35(28)48-40(31)32/h1-24H
InChIKeyOHZJPFGPXKMUGF-UHFFFAOYSA-N
MW628.69 g/mol
LogP11.25
Rot. Bonds3

About 15-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-8-yl)-3-oxa-12,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene

15-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-8-yl)-3-oxa-12,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene (PubChem CID 118506513) has the molecular formula C43H24N4O2 and a molecular weight of 628.69 g/mol. Its IUPAC name is 15-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-8-yl)-3-oxa-12,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene.

Molecular Properties

Compound Name15-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-8-yl)-3-oxa-12,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene
PubChem CID118506513
Molecular FormulaC43H24N4O2
Molecular Weight628.69 g/mol
Exact Mass628.19
IUPAC Name15-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-8-yl)-3-oxa-12,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)c3c(n2)oc2c(-n4c5ccccc5c5ccc6c(ncc7c8ccccc8oc76)c54)cccc23)cc1
InChIInChI=1S/C43H24N4O2/c1-3-12-25(13-4-1)37-36-30-18-11-20-34(41(30)49-43(36)46-42(45-37)26-14-5-2-6-15-26)47-33-19-9-7-16-27(33)29-22-23-31-38(39(29)47)44-24-32-28-17-8-10-21-35(28)48-40(31)32/h1-24H
InChIKeyOHZJPFGPXKMUGF-UHFFFAOYSA-N
XLogP11.25
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.69
LogP ≤ 511.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 15-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-8-yl)-3-oxa-12,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-8-yl)-3-oxa-12,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene?
The IUPAC name of 15-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-8-yl)-3-oxa-12,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene (CID 118506513) is 15-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-8-yl)-3-oxa-12,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene.
What is the SMILES notation for 15-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-8-yl)-3-oxa-12,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene?
The canonical SMILES for 15-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-8-yl)-3-oxa-12,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene is c1ccc(-c2nc(-c3ccccc3)c3c(n2)oc2c(-n4c5ccccc5c5ccc6c(ncc7c8ccccc8oc76)c54)cccc23)cc1.
What is the InChIKey of 15-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-8-yl)-3-oxa-12,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene?
The InChIKey is OHZJPFGPXKMUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N4O2/c1-3-12-25(13-4-1)37-36-30-18-11-20-34(41(30)49-43(36)46-42(45-37)26-14-5-2-6-15-26)47-33-19-9-7-16-27(33)29-22-23-31-38(39(29)47)44-24-32-28-17-8-10-21-35(28)48-40(31)32/h1-24H.
What are the key properties of 15-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-8-yl)-3-oxa-12,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene?
15-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-8-yl)-3-oxa-12,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene has a molecular weight of 628.69 g/mol, XLogP of 11.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(2,4-diphenyl-[1]benzofuro[2,3-d]pyrimidin-8-yl)-3-oxa-12,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1,4,6,8,10,12,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 118506513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).