4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[g]indazole

C46H31N3 — CID 170441665

IUPAC4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[g]indazole
SMILESc1ccc(-c2cc(-c3ccccc3-c3cc4ccccc4c4c3c(-c3ccccc3)nn4-c3ccccc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H31N3/c1-5-17-32(18-6-1)42-30-36(31-43(47-42)33-19-7-2-8-20-33)38-26-15-16-28-40(38)41-29-35-23-13-14-27-39(35)46-44(41)45(34-21-9-3-10-22-34)48-49(46)37-24-11-4-12-25-37/h1-31H
InChIKeyFLSOIVMZJUIBRX-UHFFFAOYSA-N
MW625.78 g/mol
LogP11.91
Rot. Bonds6

About 4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[g]indazole

4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[g]indazole (PubChem CID 170441665) has the molecular formula C46H31N3 and a molecular weight of 625.78 g/mol. Its IUPAC name is 4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[g]indazole.

Molecular Properties

Compound Name4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[g]indazole
PubChem CID170441665
Molecular FormulaC46H31N3
Molecular Weight625.78 g/mol
Exact Mass625.25
IUPAC Name4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[g]indazole
SMILESc1ccc(-c2cc(-c3ccccc3-c3cc4ccccc4c4c3c(-c3ccccc3)nn4-c3ccccc3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H31N3/c1-5-17-32(18-6-1)42-30-36(31-43(47-42)33-19-7-2-8-20-33)38-26-15-16-28-40(38)41-29-35-23-13-14-27-39(35)46-44(41)45(34-21-9-3-10-22-34)48-49(46)37-24-11-4-12-25-37/h1-31H
InChIKeyFLSOIVMZJUIBRX-UHFFFAOYSA-N
XLogP11.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.78
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-1,4-diphenylbenzo[g]indazole
CID 170441150
7-(2,6-diphenyl-4-pyridinyl)-1,3,4-triphenylbenzo[g]indazole
CID 170441523
2-[3-(1,3-diphenylbenzo[g]indazol-4-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 170441382
1,4-diphenyl-3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[g]indazole
CID 170441371
4-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[g]indazole
CID 170441247
1-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-3,4-diphenylbenzo[g]indazole
CID 170441067
2-[3-[4-(1,3-diphenylbenzo[g]indazol-4-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 170441193
1,3-diphenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441223
3,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441339
8-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole
CID 170441576
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[g]indazole?
The IUPAC name of 4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[g]indazole (CID 170441665) is 4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[g]indazole.
What is the SMILES notation for 4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[g]indazole?
The canonical SMILES for 4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[g]indazole is c1ccc(-c2cc(-c3ccccc3-c3cc4ccccc4c4c3c(-c3ccccc3)nn4-c3ccccc3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[g]indazole?
The InChIKey is FLSOIVMZJUIBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3/c1-5-17-32(18-6-1)42-30-36(31-43(47-42)33-19-7-2-8-20-33)38-26-15-16-28-40(38)41-29-35-23-13-14-27-39(35)46-44(41)45(34-21-9-3-10-22-34)48-49(46)37-24-11-4-12-25-37/h1-31H.
What are the key properties of 4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[g]indazole?
4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[g]indazole has a molecular weight of 625.78 g/mol, XLogP of 11.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[g]indazole is sourced from PubChem (CID 170441665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).