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8-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-4,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene

C37H24N4 — CID 126682905

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC8-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-4,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
SMILESc1ccc(-c2cc3c4c(cccc4c2)N(c2nc(-c4ccccc4)cc(-c4ccccc4)n2)c2ccncc2-3)cc1
InChIInChI=1S/C37H24N4/c1-4-11-25(12-5-1)29-21-28-17-10-18-35-36(28)30(22-29)31-24-38-20-19-34(31)41(35)37-39-32(26-13-6-2-7-14-26)23-33(40-37)27-15-8-3-9-16-27/h1-24H
InChIKeyOKQNXNHTWLFQCM-UHFFFAOYSA-N
MW524.63 g/mol
LogP9.48
Rot. Bonds4

About 8-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-4,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene

8-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-4,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene (PubChem CID 126682905) has the molecular formula C37H24N4 and a molecular weight of 524.63 g/mol. Its IUPAC name is 8-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-4,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene.

Molecular Properties

Compound Name8-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-4,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
PubChem CID126682905
Molecular FormulaC37H24N4
Molecular Weight524.63 g/mol
Exact Mass524.20
IUPAC Name8-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-4,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene
SMILESc1ccc(-c2cc3c4c(cccc4c2)N(c2nc(-c4ccccc4)cc(-c4ccccc4)n2)c2ccncc2-3)cc1
InChIInChI=1S/C37H24N4/c1-4-11-25(12-5-1)29-21-28-17-10-18-35-36(28)30(22-29)31-24-38-20-19-34(31)41(35)37-39-32(26-13-6-2-7-14-26)23-33(40-37)27-15-8-3-9-16-27/h1-24H
InChIKeyOKQNXNHTWLFQCM-UHFFFAOYSA-N
XLogP9.48
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.63
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-4,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-4,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
The IUPAC name of 8-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-4,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene (CID 126682905) is 8-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-4,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene.
What is the SMILES notation for 8-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-4,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
The canonical SMILES for 8-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-4,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene is c1ccc(-c2cc3c4c(cccc4c2)N(c2nc(-c4ccccc4)cc(-c4ccccc4)n2)c2ccncc2-3)cc1.
What is the InChIKey of 8-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-4,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
The InChIKey is OKQNXNHTWLFQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N4/c1-4-11-25(12-5-1)29-21-28-17-10-18-35-36(28)30(22-29)31-24-38-20-19-34(31)41(35)37-39-32(26-13-6-2-7-14-26)23-33(40-37)27-15-8-3-9-16-27/h1-24H.
What are the key properties of 8-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-4,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene?
8-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-4,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene has a molecular weight of 524.63 g/mol, XLogP of 9.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,6-diphenylpyrimidin-2-yl)-15-phenyl-4,8-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,9,11,13,15-octaene is sourced from PubChem (CID 126682905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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