7-(2,6-diphenyl-4-pyridinyl)-1,3,4-triphenylbenzo[g]indazole

C46H31N3 — CID 170441523

IUPAC7-(2,6-diphenyl-4-pyridinyl)-1,3,4-triphenylbenzo[g]indazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)cc(-c3ccccc3)c3c(-c5ccccc5)nn(-c5ccccc5)c34)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H31N3/c1-6-16-32(17-7-1)41-29-38-28-36(37-30-42(33-18-8-2-9-19-33)47-43(31-37)34-20-10-3-11-21-34)26-27-40(38)46-44(41)45(35-22-12-4-13-23-35)48-49(46)39-24-14-5-15-25-39/h1-31H
InChIKeyMYOVPOLAZJBSJM-UHFFFAOYSA-N
MW625.78 g/mol
LogP11.91
Rot. Bonds6

About 7-(2,6-diphenyl-4-pyridinyl)-1,3,4-triphenylbenzo[g]indazole

7-(2,6-diphenyl-4-pyridinyl)-1,3,4-triphenylbenzo[g]indazole (PubChem CID 170441523) has the molecular formula C46H31N3 and a molecular weight of 625.78 g/mol. Its IUPAC name is 7-(2,6-diphenyl-4-pyridinyl)-1,3,4-triphenylbenzo[g]indazole.

Molecular Properties

Compound Name7-(2,6-diphenyl-4-pyridinyl)-1,3,4-triphenylbenzo[g]indazole
PubChem CID170441523
Molecular FormulaC46H31N3
Molecular Weight625.78 g/mol
Exact Mass625.25
IUPAC Name7-(2,6-diphenyl-4-pyridinyl)-1,3,4-triphenylbenzo[g]indazole
SMILESc1ccc(-c2cc(-c3ccc4c(c3)cc(-c3ccccc3)c3c(-c5ccccc5)nn(-c5ccccc5)c34)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H31N3/c1-6-16-32(17-7-1)41-29-38-28-36(37-30-42(33-18-8-2-9-19-33)47-43(31-37)34-20-10-3-11-21-34)26-27-40(38)46-44(41)45(35-22-12-4-13-23-35)48-49(46)39-24-14-5-15-25-39/h1-31H
InChIKeyMYOVPOLAZJBSJM-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
4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[g]indazole
CID 170441665
7-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]-1,3,4-triphenylbenzo[g]indazole
CID 170441551
1,4-diphenyl-3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[g]indazole
CID 170441371
1-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-3,4-diphenylbenzo[g]indazole
CID 170441067
8-(9,10-dinaphthalen-2-ylanthracen-2-yl)-1,3,4-triphenylbenzo[g]indazole
CID 170441578
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
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
8-(10-naphthalen-2-ylanthracen-9-yl)-1,3,4-triphenylbenzo[g]indazole
CID 170441576
3,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441339

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-diphenyl-4-pyridinyl)-1,3,4-triphenylbenzo[g]indazole?
The IUPAC name of 7-(2,6-diphenyl-4-pyridinyl)-1,3,4-triphenylbenzo[g]indazole (CID 170441523) is 7-(2,6-diphenyl-4-pyridinyl)-1,3,4-triphenylbenzo[g]indazole.
What is the SMILES notation for 7-(2,6-diphenyl-4-pyridinyl)-1,3,4-triphenylbenzo[g]indazole?
The canonical SMILES for 7-(2,6-diphenyl-4-pyridinyl)-1,3,4-triphenylbenzo[g]indazole is c1ccc(-c2cc(-c3ccc4c(c3)cc(-c3ccccc3)c3c(-c5ccccc5)nn(-c5ccccc5)c34)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 7-(2,6-diphenyl-4-pyridinyl)-1,3,4-triphenylbenzo[g]indazole?
The InChIKey is MYOVPOLAZJBSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3/c1-6-16-32(17-7-1)41-29-38-28-36(37-30-42(33-18-8-2-9-19-33)47-43(31-37)34-20-10-3-11-21-34)26-27-40(38)46-44(41)45(35-22-12-4-13-23-35)48-49(46)39-24-14-5-15-25-39/h1-31H.
What are the key properties of 7-(2,6-diphenyl-4-pyridinyl)-1,3,4-triphenylbenzo[g]indazole?
7-(2,6-diphenyl-4-pyridinyl)-1,3,4-triphenylbenzo[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 7-(2,6-diphenyl-4-pyridinyl)-1,3,4-triphenylbenzo[g]indazole is sourced from PubChem (CID 170441523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).