8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)-2-phenylquinoline

C38H34N2 — CID 171751766

IUPAC8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)-2-phenylquinoline
SMILESCc1ccc(-c2ccc(-c3cccc(-c4cc(C(C)(C)C)ccn4)c3)c3nc(-c4ccccc4)ccc23)c(C)c1
InChIInChI=1S/C38H34N2/c1-25-14-15-31(26(2)22-25)33-17-16-32(37-34(33)18-19-35(40-37)27-10-7-6-8-11-27)28-12-9-13-29(23-28)36-24-30(20-21-39-36)38(3,4)5/h6-24H,1-5H3
InChIKeyISZYTXUXLWHHOX-UHFFFAOYSA-N
MW518.70 g/mol
LogP10.21
Rot. Bonds4

About 8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)-2-phenylquinoline

8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)-2-phenylquinoline (PubChem CID 171751766) has the molecular formula C38H34N2 and a molecular weight of 518.70 g/mol. Its IUPAC name is 8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)-2-phenylquinoline.

Molecular Properties

Compound Name8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)-2-phenylquinoline
PubChem CID171751766
Molecular FormulaC38H34N2
Molecular Weight518.70 g/mol
Exact Mass518.27
IUPAC Name8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)-2-phenylquinoline
SMILESCc1ccc(-c2ccc(-c3cccc(-c4cc(C(C)(C)C)ccn4)c3)c3nc(-c4ccccc4)ccc23)c(C)c1
InChIInChI=1S/C38H34N2/c1-25-14-15-31(26(2)22-25)33-17-16-32(37-34(33)18-19-35(40-37)27-10-7-6-8-11-27)28-12-9-13-29(23-28)36-24-30(20-21-39-36)38(3,4)5/h6-24H,1-5H3
InChIKeyISZYTXUXLWHHOX-UHFFFAOYSA-N
XLogP10.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.70
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)quinoline
CID 171751706
5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2,4-dimethylphenyl)quinoxaline
CID 171751482
4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
CID 170196288
5-(3-tert-butylphenyl)-8-[3-(4-tert-butyl-2-pyridinyl)phenyl]quinoline
CID 171751639
5-[3-(4-tert-butyl-2-pyridinyl)phenyl]-8-(2-methyl-3-phenylphenyl)quinoxaline
CID 171751604
tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
CID 161156371
8-[3-(4-tert-butyl-2-pyridinyl)benzene-4-id-1-yl]-5-[3-(2,4-dimethylphenyl)-5-phenylphenyl]-2-phenylquinoxaline;iridium;4-methyl-2-phenylpyridine
CID 171751737
1-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)phenyl]phenyl]phenyl]phenyl]-3-methylphenyl]-8-tert-butylnaphtho[2,1-f]isoquinoline
CID 134191404
4-tert-butyl-2-[4-[7-(4-tert-butyl-2-pyridinyl)naphthalen-1-yl]naphthalen-2-yl]pyridine
CID 155643269
2-[4-[2-[3,5-bis[2-[4-(4-tert-butyl-2-pyridinyl)-2-(2,6-dimethylphenyl)phenyl]phenyl]phenyl]phenyl]-3-(2,6-dimethylphenyl)phenyl]-4-tert-butylpyridine
CID 140838950
2-[4-[2-[3-[2-[4-(4-tert-butyl-2-pyridinyl)-2-phenylphenyl]phenyl]-5-[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(4-fluorophenyl)-4-methylpyridine
CID 134226053
1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]-9H-carbazole
CID 140934236

Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)-2-phenylquinoline?
The IUPAC name of 8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)-2-phenylquinoline (CID 171751766) is 8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)-2-phenylquinoline.
What is the SMILES notation for 8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)-2-phenylquinoline?
The canonical SMILES for 8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)-2-phenylquinoline is Cc1ccc(-c2ccc(-c3cccc(-c4cc(C(C)(C)C)ccn4)c3)c3nc(-c4ccccc4)ccc23)c(C)c1.
What is the InChIKey of 8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)-2-phenylquinoline?
The InChIKey is ISZYTXUXLWHHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N2/c1-25-14-15-31(26(2)22-25)33-17-16-32(37-34(33)18-19-35(40-37)27-10-7-6-8-11-27)28-12-9-13-29(23-28)36-24-30(20-21-39-36)38(3,4)5/h6-24H,1-5H3.
What are the key properties of 8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)-2-phenylquinoline?
8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)-2-phenylquinoline has a molecular weight of 518.70 g/mol, XLogP of 10.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-tert-butyl-2-pyridinyl)phenyl]-5-(2,4-dimethylphenyl)-2-phenylquinoline is sourced from PubChem (CID 171751766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).