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

C50H33N5 — CID 170441223

IUPAC1,3-diphenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cc6ccccc6c6c5c(-c5ccccc5)nn6-c5ccccc5)cc4)n3)c2)cc1
InChIInChI=1S/C50H33N5/c1-5-16-34(17-6-1)39-23-15-24-41(32-39)50-52-48(37-20-9-3-10-21-37)51-49(53-50)38-30-28-35(29-31-38)44-33-40-22-13-14-27-43(40)47-45(44)46(36-18-7-2-8-19-36)54-55(47)42-25-11-4-12-26-42/h1-33H
InChIKeyJVTJFLUYEFVWER-UHFFFAOYSA-N
MW703.85 g/mol
LogP12.37
Rot. Bonds7

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

1,3-diphenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole (PubChem CID 170441223) has the molecular formula C50H33N5 and a molecular weight of 703.85 g/mol. Its IUPAC name is 1,3-diphenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole.

Molecular Properties

Compound Name1,3-diphenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
PubChem CID170441223
Molecular FormulaC50H33N5
Molecular Weight703.85 g/mol
Exact Mass703.27
IUPAC Name1,3-diphenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cc6ccccc6c6c5c(-c5ccccc5)nn6-c5ccccc5)cc4)n3)c2)cc1
InChIInChI=1S/C50H33N5/c1-5-16-34(17-6-1)39-23-15-24-41(32-39)50-52-48(37-20-9-3-10-21-37)51-49(53-50)38-30-28-35(29-31-38)44-33-40-22-13-14-27-43(40)47-45(44)46(36-18-7-2-8-19-36)54-55(47)42-25-11-4-12-26-42/h1-33H
InChIKeyJVTJFLUYEFVWER-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

3,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441339
8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole
CID 170441597
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
1,3,4-triphenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzo[g]indazole
CID 170441642
1,3,4-triphenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441473
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
4-[4-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[g]indazole
CID 170441242
1-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-3,4-diphenylbenzo[g]indazole
CID 170441067
3-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-1,4-diphenylbenzo[g]indazole
CID 170441357

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole?
The IUPAC name of 1,3-diphenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole (CID 170441223) is 1,3-diphenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole.
What is the SMILES notation for 1,3-diphenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole?
The canonical SMILES for 1,3-diphenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cc6ccccc6c6c5c(-c5ccccc5)nn6-c5ccccc5)cc4)n3)c2)cc1.
What is the InChIKey of 1,3-diphenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole?
The InChIKey is JVTJFLUYEFVWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N5/c1-5-16-34(17-6-1)39-23-15-24-41(32-39)50-52-48(37-20-9-3-10-21-37)51-49(53-50)38-30-28-35(29-31-38)44-33-40-22-13-14-27-43(40)47-45(44)46(36-18-7-2-8-19-36)54-55(47)42-25-11-4-12-26-42/h1-33H.
What are the key properties of 1,3-diphenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole?
1,3-diphenyl-4-[4-[4-phenyl-6-(3-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 1,3-diphenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole is sourced from PubChem (CID 170441223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).