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

C51H34N4 — CID 170441371

IUPAC1,4-diphenyl-3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[g]indazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5nn(-c6ccccc6)c6c5c(-c5ccccc5)cc5ccccc56)c4)n3)cc2)cc1
InChIInChI=1S/C51H34N4/c1-5-16-35(17-6-1)36-28-30-39(31-29-36)51-52-46(38-20-9-3-10-21-38)34-47(53-51)41-23-15-24-42(32-41)49-48-45(37-18-7-2-8-19-37)33-40-22-13-14-27-44(40)50(48)55(54-49)43-25-11-4-12-26-43/h1-34H
InChIKeyQYBBEEDCCDFXAP-UHFFFAOYSA-N
MW702.86 g/mol
LogP12.97
Rot. Bonds7

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

1,4-diphenyl-3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[g]indazole (PubChem CID 170441371) has the molecular formula C51H34N4 and a molecular weight of 702.86 g/mol. Its IUPAC name is 1,4-diphenyl-3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[g]indazole.

Molecular Properties

Compound Name1,4-diphenyl-3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[g]indazole
PubChem CID170441371
Molecular FormulaC51H34N4
Molecular Weight702.86 g/mol
Exact Mass702.28
IUPAC Name1,4-diphenyl-3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[g]indazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5nn(-c6ccccc6)c6c5c(-c5ccccc5)cc5ccccc56)c4)n3)cc2)cc1
InChIInChI=1S/C51H34N4/c1-5-16-35(17-6-1)36-28-30-39(31-29-36)51-52-46(38-20-9-3-10-21-38)34-47(53-51)41-23-15-24-42(32-41)49-48-45(37-18-7-2-8-19-37)33-40-22-13-14-27-44(40)50(48)55(54-49)43-25-11-4-12-26-43/h1-34H
InChIKeyQYBBEEDCCDFXAP-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
3,4-diphenyl-1-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[g]indazole
CID 170441339
2-[3-[4-(1,3-diphenylbenzo[g]indazol-4-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 170441193
4-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,3-diphenylbenzo[g]indazole
CID 170441247
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
7-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]-1,3,4-triphenylbenzo[g]indazole
CID 170441551
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-(1,4-diphenylbenzo[g]indazol-3-yl)phenyl]-1,10-phenanthroline
CID 170441350
1-[4-[4-(3,5-dipyridin-2-ylphenyl)phenyl]phenyl]-3,4-diphenylbenzo[g]indazole
CID 170441067
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 1,4-diphenyl-3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[g]indazole?
The IUPAC name of 1,4-diphenyl-3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[g]indazole (CID 170441371) is 1,4-diphenyl-3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[g]indazole.
What is the SMILES notation for 1,4-diphenyl-3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[g]indazole?
The canonical SMILES for 1,4-diphenyl-3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[g]indazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc(-c5nn(-c6ccccc6)c6c5c(-c5ccccc5)cc5ccccc56)c4)n3)cc2)cc1.
What is the InChIKey of 1,4-diphenyl-3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[g]indazole?
The InChIKey is QYBBEEDCCDFXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4/c1-5-16-35(17-6-1)36-28-30-39(31-29-36)51-52-46(38-20-9-3-10-21-38)34-47(53-51)41-23-15-24-42(32-41)49-48-45(37-18-7-2-8-19-37)33-40-22-13-14-27-44(40)50(48)55(54-49)43-25-11-4-12-26-43/h1-34H.
What are the key properties of 1,4-diphenyl-3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[g]indazole?
1,4-diphenyl-3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[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-diphenyl-3-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[g]indazole is sourced from PubChem (CID 170441371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).