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

C50H33N5 — CID 170441339

IUPAC3,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5nc(-c6ccccc6)c6c(-c7ccccc7)cc7ccccc7c65)c4)n3)cc2)cc1
InChIInChI=1S/C50H33N5/c1-5-16-34(17-6-1)35-28-30-39(31-29-35)49-51-48(38-22-11-4-12-23-38)52-50(53-49)41-25-15-26-42(32-41)55-47-43-27-14-13-24-40(43)33-44(36-18-7-2-8-19-36)45(47)46(54-55)37-20-9-3-10-21-37/h1-33H
InChIKeyWHJFPPIAAXKWBQ-UHFFFAOYSA-N
MW703.85 g/mol
LogP12.37
Rot. Bonds7

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

3,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole (PubChem CID 170441339) has the molecular formula C50H33N5 and a molecular weight of 703.85 g/mol. Its IUPAC name is 3,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole.

Molecular Properties

Compound Name3,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
PubChem CID170441339
Molecular FormulaC50H33N5
Molecular Weight703.85 g/mol
Exact Mass703.27
IUPAC Name3,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5nc(-c6ccccc6)c6c(-c7ccccc7)cc7ccccc7c65)c4)n3)cc2)cc1
InChIInChI=1S/C50H33N5/c1-5-16-34(17-6-1)35-28-30-39(31-29-35)49-51-48(38-22-11-4-12-23-38)52-50(53-49)41-25-15-26-42(32-41)55-47-43-27-14-13-24-40(43)33-44(36-18-7-2-8-19-36)45(47)46(54-55)37-20-9-3-10-21-37/h1-33H
InChIKeyWHJFPPIAAXKWBQ-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
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
8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole
CID 170441597
1,4-diphenyl-3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[g]indazole
CID 170441371
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-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,3-diphenylbenzo[g]indazole
CID 170441244
4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[g]indazole
CID 170441242
1,3,4-triphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[g]indazole
CID 170441642
2-[3-[4-(1,3-diphenylbenzo[g]indazol-4-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 170441193
8-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole
CID 170441576
1-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-3,4-diphenylbenzo[g]indazole
CID 170441067

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole?
The IUPAC name of 3,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole (CID 170441339) is 3,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole.
What is the SMILES notation for 3,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole?
The canonical SMILES for 3,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5nc(-c6ccccc6)c6c(-c7ccccc7)cc7ccccc7c65)c4)n3)cc2)cc1.
What is the InChIKey of 3,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole?
The InChIKey is WHJFPPIAAXKWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N5/c1-5-16-34(17-6-1)35-28-30-39(31-29-35)49-51-48(38-22-11-4-12-23-38)52-50(53-49)41-25-15-26-42(32-41)55-47-43-27-14-13-24-40(43)33-44(36-18-7-2-8-19-36)45(47)46(54-55)37-20-9-3-10-21-37/h1-33H.
What are the key properties of 3,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole?
3,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]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 3,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole is sourced from PubChem (CID 170441339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).