1-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-3,4-diphenylbenzo[g]indazole

C51H34N4 — CID 170441067

IUPAC1-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-3,4-diphenylbenzo[g]indazole
SMILESc1ccc(-c2cc3ccccc3c3c2c(-c2ccccc2)nn3-c2ccc(-c3ccc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)cc3)cc2)cc1
InChIInChI=1S/C51H34N4/c1-3-13-38(14-4-1)46-34-40-17-7-8-18-45(40)51-49(46)50(39-15-5-2-6-16-39)54-55(51)44-27-25-36(26-28-44)35-21-23-37(24-22-35)41-31-42(47-19-9-11-29-52-47)33-43(32-41)48-20-10-12-30-53-48/h1-34H
InChIKeyWUHJODHGRWBKJD-UHFFFAOYSA-N
MW702.86 g/mol
LogP12.97
Rot. Bonds7

About 1-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-3,4-diphenylbenzo[g]indazole

1-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-3,4-diphenylbenzo[g]indazole (PubChem CID 170441067) has the molecular formula C51H34N4 and a molecular weight of 702.86 g/mol. Its IUPAC name is 1-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-3,4-diphenylbenzo[g]indazole.

Molecular Properties

Compound Name1-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-3,4-diphenylbenzo[g]indazole
PubChem CID170441067
Molecular FormulaC51H34N4
Molecular Weight702.86 g/mol
Exact Mass702.28
IUPAC Name1-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-3,4-diphenylbenzo[g]indazole
SMILESc1ccc(-c2cc3ccccc3c3c2c(-c2ccccc2)nn3-c2ccc(-c3ccc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)cc3)cc2)cc1
InChIInChI=1S/C51H34N4/c1-3-13-38(14-4-1)46-34-40-17-7-8-18-45(40)51-49(46)50(39-15-5-2-6-16-39)54-55(51)44-27-25-36(26-28-44)35-21-23-37(24-22-35)41-31-42(47-19-9-11-29-52-47)33-43(32-41)48-20-10-12-30-53-48/h1-34H
InChIKeyWUHJODHGRWBKJD-UHFFFAOYSA-N
XLogP12.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 512.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-1,4-diphenylbenzo[g]indazole
CID 170441150
1,3-diphenyl-4-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441223
1,4-diphenyl-3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[g]indazole
CID 170441371
2-[3-[4-(1,3-diphenylbenzo[g]indazol-4-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 170441193
3,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441339
7-(2,6-diphenyl-4-pyridinyl)-1,3,4-triphenylbenzo[g]indazole
CID 170441523
2-[3-(1,4-diphenylbenzo[g]indazol-3-yl)phenyl]-1,10-phenanthroline
CID 170441350
4-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[g]indazole
CID 170441247
4-[2-(2,6-diphenyl-4-pyridinyl)phenyl]-1,3-diphenylbenzo[g]indazole
CID 170441665
5-(2,6-dipyridin-2-yl-4-pyridinyl)-1,3,4-triphenylbenzo[g]indazole
CID 170441271
2-[3-(1,3-diphenylbenzo[g]indazol-4-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 170441382
8-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,3,4-triphenylbenzo[g]indazole
CID 170441597

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-3,4-diphenylbenzo[g]indazole?
The IUPAC name of 1-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-3,4-diphenylbenzo[g]indazole (CID 170441067) is 1-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-3,4-diphenylbenzo[g]indazole.
What is the SMILES notation for 1-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-3,4-diphenylbenzo[g]indazole?
The canonical SMILES for 1-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-3,4-diphenylbenzo[g]indazole is c1ccc(-c2cc3ccccc3c3c2c(-c2ccccc2)nn3-c2ccc(-c3ccc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-3,4-diphenylbenzo[g]indazole?
The InChIKey is WUHJODHGRWBKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4/c1-3-13-38(14-4-1)46-34-40-17-7-8-18-45(40)51-49(46)50(39-15-5-2-6-16-39)54-55(51)44-27-25-36(26-28-44)35-21-23-37(24-22-35)41-31-42(47-19-9-11-29-52-47)33-43(32-41)48-20-10-12-30-53-48/h1-34H.
What are the key properties of 1-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-3,4-diphenylbenzo[g]indazole?
1-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-3,4-diphenylbenzo[g]indazole has a molecular weight of 702.86 g/mol, XLogP of 12.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-3,4-diphenylbenzo[g]indazole is sourced from PubChem (CID 170441067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).