1,3,4-triphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[g]indazole

C50H33N5 — CID 170441642

IUPAC1,3,4-triphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[g]indazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5cc(-c6ccccc6)c6c(-c7ccccc7)nn(-c7ccccc7)c6c45)n3)c2)cc1
InChIInChI=1S/C50H33N5/c1-6-18-34(19-7-1)38-26-16-28-40(32-38)49-51-48(37-24-12-4-13-25-37)52-50(53-49)42-31-17-27-39-33-43(35-20-8-2-9-21-35)45-46(36-22-10-3-11-23-36)54-55(47(45)44(39)42)41-29-14-5-15-30-41/h1-33H
InChIKeyPEHJJBDODCZTQK-UHFFFAOYSA-N
MW703.85 g/mol
LogP12.37
Rot. Bonds7

About 1,3,4-triphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[g]indazole

1,3,4-triphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[g]indazole (PubChem CID 170441642) has the molecular formula C50H33N5 and a molecular weight of 703.85 g/mol. Its IUPAC name is 1,3,4-triphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[g]indazole.

Molecular Properties

Compound Name1,3,4-triphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[g]indazole
PubChem CID170441642
Molecular FormulaC50H33N5
Molecular Weight703.85 g/mol
Exact Mass703.27
IUPAC Name1,3,4-triphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[g]indazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5cc(-c6ccccc6)c6c(-c7ccccc7)nn(-c7ccccc7)c6c45)n3)c2)cc1
InChIInChI=1S/C50H33N5/c1-6-18-34(19-7-1)38-26-16-28-40(32-38)49-51-48(37-24-12-4-13-25-37)52-50(53-49)42-31-17-27-39-33-43(35-20-8-2-9-21-35)45-46(36-22-10-3-11-23-36)54-55(47(45)44(39)42)41-29-14-5-15-30-41/h1-33H
InChIKeyPEHJJBDODCZTQK-UHFFFAOYSA-N
XLogP12.37
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.85
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-diphenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441223
8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole
CID 170441597
3,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441339
1,3,4-triphenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441473
4-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[g]indazole
CID 170441247
3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-1,4-diphenylbenzo[g]indazole
CID 170441150
1,4-diphenyl-3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[g]indazole
CID 170441371
4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[g]indazole
CID 170441242
2-[4-(1,3,4-triphenylbenzo[g]indazol-9-yl)phenyl]-1,10-phenanthroline
CID 170441620
2-[3-[4-(1,3-diphenylbenzo[g]indazol-4-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 170441193
4-[4-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[g]indazole
CID 170441244
10-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,2,5-triphenylpyrazolo[5,1-a]isoquinoline
CID 167328823

Frequently Asked Questions

What is the IUPAC name of 1,3,4-triphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[g]indazole?
The IUPAC name of 1,3,4-triphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[g]indazole (CID 170441642) is 1,3,4-triphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[g]indazole.
What is the SMILES notation for 1,3,4-triphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[g]indazole?
The canonical SMILES for 1,3,4-triphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[g]indazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc5cc(-c6ccccc6)c6c(-c7ccccc7)nn(-c7ccccc7)c6c45)n3)c2)cc1.
What is the InChIKey of 1,3,4-triphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[g]indazole?
The InChIKey is PEHJJBDODCZTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N5/c1-6-18-34(19-7-1)38-26-16-28-40(32-38)49-51-48(37-24-12-4-13-25-37)52-50(53-49)42-31-17-27-39-33-43(35-20-8-2-9-21-35)45-46(36-22-10-3-11-23-36)54-55(47(45)44(39)42)41-29-14-5-15-30-41/h1-33H.
What are the key properties of 1,3,4-triphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[g]indazole?
1,3,4-triphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[g]indazole has a molecular weight of 703.85 g/mol, XLogP of 12.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-triphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[g]indazole is sourced from PubChem (CID 170441642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).