2-[3,11-diphenyl-10-(1-phenylimidazol-2-yl)tetraphenylen-2-yl]pyridine

C50H33N3 — CID 176737862

IUPAC2-[3,11-diphenyl-10-(1-phenylimidazol-2-yl)tetraphenylen-2-yl]pyridine
SMILESc1ccc(-c2cc3c(cc2-c2ccccn2)-c2ccccc2-c2cc(-c4ccccc4)c(-c4nccn4-c4ccccc4)cc2-c2ccccc2-3)cc1
InChIInChI=1S/C50H33N3/c1-4-16-34(17-5-1)41-30-43-38-23-11-13-25-40(38)46-33-48(50-52-28-29-53(50)36-20-8-3-9-21-36)42(35-18-6-2-7-19-35)31-44(46)37-22-10-12-24-39(37)45(43)32-47(41)49-26-14-15-27-51-49/h1-33H/b43-38-,44-37-,45-39-,46-40-
InChIKeyFNNFBBYVACUHOB-TVXVUCPISA-N
MW675.84 g/mol
LogP12.92
Rot. Bonds5

About 2-[3,11-diphenyl-10-(1-phenylimidazol-2-yl)tetraphenylen-2-yl]pyridine

2-[3,11-diphenyl-10-(1-phenylimidazol-2-yl)tetraphenylen-2-yl]pyridine (PubChem CID 176737862) has the molecular formula C50H33N3 and a molecular weight of 675.84 g/mol. Its IUPAC name is 2-[3,11-diphenyl-10-(1-phenylimidazol-2-yl)tetraphenylen-2-yl]pyridine.

Molecular Properties

Compound Name2-[3,11-diphenyl-10-(1-phenylimidazol-2-yl)tetraphenylen-2-yl]pyridine
PubChem CID176737862
Molecular FormulaC50H33N3
Molecular Weight675.84 g/mol
Exact Mass675.27
IUPAC Name2-[3,11-diphenyl-10-(1-phenylimidazol-2-yl)tetraphenylen-2-yl]pyridine
SMILESc1ccc(-c2cc3c(cc2-c2ccccn2)-c2ccccc2-c2cc(-c4ccccc4)c(-c4nccn4-c4ccccc4)cc2-c2ccccc2-3)cc1
InChIInChI=1S/C50H33N3/c1-4-16-34(17-5-1)41-30-43-38-23-11-13-25-40(38)46-33-48(50-52-28-29-53(50)36-20-8-3-9-21-36)42(35-18-6-2-7-19-35)31-44(46)37-22-10-12-24-39(37)45(43)32-47(41)49-26-14-15-27-51-49/h1-33H/b43-38-,44-37-,45-39-,46-40-
InChIKeyFNNFBBYVACUHOB-TVXVUCPISA-N
XLogP12.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.84
LogP ≤ 512.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-[3-(1-phenylimidazol-2-yl)phenyl]imidazole
CID 58965505
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CID 146397355
2-[3-[3-(1-tetraphenylen-2-ylimidazol-2-yl)phenoxy]phenyl]pyridine
CID 164939634
2-[3-dibenzofuran-3-yl-4-[2-[3-[2-[4-(1-phenylimidazol-2-yl)phenyl]phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 153458136
1-phenyl-2-(3-phenylphenyl)imidazole
CID 157490154
3-(1-phenylimidazol-2-yl)phenol
CID 70654534
iridium(3+);2-[4-[2-[3-[2-[4-(1-phenylimidazol-2-yl)benzene-5-id-1-yl]phenyl]-5-[2-(4-pyrazol-1-ylbenzene-5-id-1-yl)phenyl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]pyridine
CID 153458524
2-(4-methyl-2-phenylphenyl)pyridine
CID 20606677
2-(3-bromophenyl)-1-phenylimidazole
CID 70654369
2,3,6,7-tetraphenyltetraphenylene
CID 134982386
1,2-bis(3,5-diphenylphenyl)imidazole
CID 90181054
2-(4-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 142417656

Frequently Asked Questions

What is the IUPAC name of 2-[3,11-diphenyl-10-(1-phenylimidazol-2-yl)tetraphenylen-2-yl]pyridine?
The IUPAC name of 2-[3,11-diphenyl-10-(1-phenylimidazol-2-yl)tetraphenylen-2-yl]pyridine (CID 176737862) is 2-[3,11-diphenyl-10-(1-phenylimidazol-2-yl)tetraphenylen-2-yl]pyridine.
What is the SMILES notation for 2-[3,11-diphenyl-10-(1-phenylimidazol-2-yl)tetraphenylen-2-yl]pyridine?
The canonical SMILES for 2-[3,11-diphenyl-10-(1-phenylimidazol-2-yl)tetraphenylen-2-yl]pyridine is c1ccc(-c2cc3c(cc2-c2ccccn2)-c2ccccc2-c2cc(-c4ccccc4)c(-c4nccn4-c4ccccc4)cc2-c2ccccc2-3)cc1.
What is the InChIKey of 2-[3,11-diphenyl-10-(1-phenylimidazol-2-yl)tetraphenylen-2-yl]pyridine?
The InChIKey is FNNFBBYVACUHOB-TVXVUCPISA-N. The full InChI is InChI=1S/C50H33N3/c1-4-16-34(17-5-1)41-30-43-38-23-11-13-25-40(38)46-33-48(50-52-28-29-53(50)36-20-8-3-9-21-36)42(35-18-6-2-7-19-35)31-44(46)37-22-10-12-24-39(37)45(43)32-47(41)49-26-14-15-27-51-49/h1-33H/b43-38-,44-37-,45-39-,46-40-.
What are the key properties of 2-[3,11-diphenyl-10-(1-phenylimidazol-2-yl)tetraphenylen-2-yl]pyridine?
2-[3,11-diphenyl-10-(1-phenylimidazol-2-yl)tetraphenylen-2-yl]pyridine has a molecular weight of 675.84 g/mol, XLogP of 12.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,11-diphenyl-10-(1-phenylimidazol-2-yl)tetraphenylen-2-yl]pyridine is sourced from PubChem (CID 176737862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).