6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene

C48H31N7 — CID 164745048

IUPAC6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)nc4n(-c6ccccc6)c6c7ccccc7n(-c7ccccc7)c6n54)cc3)n2)cc1
InChIInChI=1S/C48H31N7/c1-5-15-33(16-6-1)44-50-45(34-17-7-2-8-18-34)52-46(51-44)35-27-25-32(26-28-35)36-29-30-42-40(31-36)49-48-54(38-21-11-4-12-22-38)43-39-23-13-14-24-41(39)53(47(43)55(42)48)37-19-9-3-10-20-37/h1-31H
InChIKeyBKAGQXQEPCUDBH-UHFFFAOYSA-N
MW705.83 g/mol
LogP11.23
Rot. Bonds6

About 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene

6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene (PubChem CID 164745048) has the molecular formula C48H31N7 and a molecular weight of 705.83 g/mol. Its IUPAC name is 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene.

Molecular Properties

Compound Name6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene
PubChem CID164745048
Molecular FormulaC48H31N7
Molecular Weight705.83 g/mol
Exact Mass705.26
IUPAC Name6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)nc4n(-c6ccccc6)c6c7ccccc7n(-c7ccccc7)c6n54)cc3)n2)cc1
InChIInChI=1S/C48H31N7/c1-5-15-33(16-6-1)44-50-45(34-17-7-2-8-18-34)52-46(51-44)35-27-25-32(26-28-35)36-29-30-42-40(31-36)49-48-54(38-21-11-4-12-22-38)43-39-23-13-14-24-41(39)53(47(43)55(42)48)37-19-9-3-10-20-37/h1-31H
InChIKeyBKAGQXQEPCUDBH-UHFFFAOYSA-N
XLogP11.23
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.83
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene with MolForge

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Related Compounds

6-(2,6-diphenylpyrimidin-4-yl)-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene
CID 154646495
19-(2,6-diphenylpyrimidin-4-yl)-11-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene
CID 154646941
19-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-11-phenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,9,13,15,17-octaene
CID 154646439
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,10-diphenylindolo[3,2-b]indole
CID 90296192
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-phenyl-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene
CID 129200603
9-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 171438085
9-(2,6-diphenylpyrimidin-4-yl)-11-phenyl-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,12,14,16,18-octaene
CID 154646640
11-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylindolo[1,2-a]benzimidazole
CID 159845108
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 139481059
3-[9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511500
5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140947989
3-phenyl-9-[3-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 174243912

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene?
The IUPAC name of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene (CID 164745048) is 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene.
What is the SMILES notation for 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene?
The canonical SMILES for 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)nc4n(-c6ccccc6)c6c7ccccc7n(-c7ccccc7)c6n54)cc3)n2)cc1.
What is the InChIKey of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene?
The InChIKey is BKAGQXQEPCUDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N7/c1-5-15-33(16-6-1)44-50-45(34-17-7-2-8-18-34)52-46(51-44)35-27-25-32(26-28-35)36-29-30-42-40(31-36)49-48-54(38-21-11-4-12-22-38)43-39-23-13-14-24-41(39)53(47(43)55(42)48)37-19-9-3-10-20-37/h1-31H.
What are the key properties of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene?
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene has a molecular weight of 705.83 g/mol, XLogP of 11.23, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,19-diphenyl-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3(8),4,6,9,13,15,17-octaene is sourced from PubChem (CID 164745048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).