5-(2,6-diphenylpyrimidin-4-yl)-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene

C35H22N4 — CID 139396475

About 5-(2,6-diphenylpyrimidin-4-yl)-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene

5-(2,6-diphenylpyrimidin-4-yl)-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene (PubChem CID 139396475) has the molecular formula C35H22N4 and a molecular weight of 498.59 g/mol. Its IUPAC name is 5-(2,6-diphenylpyrimidin-4-yl)-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene.

Molecular Properties

• Compound Name: 5-(2,6-diphenylpyrimidin-4-yl)-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
• PubChem CID: 139396475
• Molecular Formula: C35H22N4
• Molecular Weight: 498.59 g/mol
• Exact Mass: 498.18
• IUPAC Name: 5-(2,6-diphenylpyrimidin-4-yl)-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
• SMILES: c1ccc(-c2cc(-c3ccc4c(c3)c3c(-c5ccccc5)nc5cccc4n53)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C35H22N4/c1-4-11-23(12-5-1)29-22-30(37-35(36-29)25-15-8-3-9-16-25)26-19-20-27-28(21-26)34-33(24-13-6-2-7-14-24)38-32-18-10-17-31(27)39(32)34/h1-22H
• InChIKey: SGSNNFSXEPDFMK-UHFFFAOYSA-N
• XLogP: 8.54
• TPSA: 43.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.59
LogP ≤ 5	8.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-diphenylpyrimidin-4-yl)-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene?

The IUPAC name of 5-(2,6-diphenylpyrimidin-4-yl)-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene (CID 139396475) is 5-(2,6-diphenylpyrimidin-4-yl)-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene.

What is the SMILES notation for 5-(2,6-diphenylpyrimidin-4-yl)-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene?

The canonical SMILES for 5-(2,6-diphenylpyrimidin-4-yl)-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene is c1ccc(-c2cc(-c3ccc4c(c3)c3c(-c5ccccc5)nc5cccc4n53)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 5-(2,6-diphenylpyrimidin-4-yl)-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene?

The InChIKey is SGSNNFSXEPDFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22N4/c1-4-11-23(12-5-1)29-22-30(37-35(36-29)25-15-8-3-9-16-25)26-19-20-27-28(21-26)34-33(24-13-6-2-7-14-24)38-32-18-10-17-31(27)39(32)34/h1-22H.

What are the key properties of 5-(2,6-diphenylpyrimidin-4-yl)-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene?

5-(2,6-diphenylpyrimidin-4-yl)-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene has a molecular weight of 498.59 g/mol, XLogP of 8.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,6-diphenylpyrimidin-4-yl)-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene is sourced from PubChem (CID 139396475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).