4-[3-[1-[5-(2-tert-butylphenyl)-3-pyridinyl]-2-methylpropan-2-yl]phenyl]quinoline

C34H34N2 — CID 167153404

IUPAC4-[3-[1-[5-(2-tert-butylphenyl)-3-pyridinyl]-2-methylpropan-2-yl]phenyl]quinoline
SMILESCC(C)(C)c1ccccc1-c1cncc(CC(C)(C)c2cccc(-c3ccnc4ccccc34)c2)c1
InChIInChI=1S/C34H34N2/c1-33(2,3)31-15-8-6-13-29(31)26-19-24(22-35-23-26)21-34(4,5)27-12-10-11-25(20-27)28-17-18-36-32-16-9-7-14-30(28)32/h6-20,22-23H,21H2,1-5H3
InChIKeyYETRPBOZMBVJFJ-UHFFFAOYSA-N
MW470.66 g/mol
LogP8.78
Rot. Bonds5

About 4-[3-[1-[5-(2-tert-butylphenyl)-3-pyridinyl]-2-methylpropan-2-yl]phenyl]quinoline

4-[3-[1-[5-(2-tert-butylphenyl)-3-pyridinyl]-2-methylpropan-2-yl]phenyl]quinoline (PubChem CID 167153404) has the molecular formula C34H34N2 and a molecular weight of 470.66 g/mol. Its IUPAC name is 4-[3-[1-[5-(2-tert-butylphenyl)-3-pyridinyl]-2-methylpropan-2-yl]phenyl]quinoline.

Molecular Properties

Compound Name4-[3-[1-[5-(2-tert-butylphenyl)-3-pyridinyl]-2-methylpropan-2-yl]phenyl]quinoline
PubChem CID167153404
Molecular FormulaC34H34N2
Molecular Weight470.66 g/mol
Exact Mass470.27
IUPAC Name4-[3-[1-[5-(2-tert-butylphenyl)-3-pyridinyl]-2-methylpropan-2-yl]phenyl]quinoline
SMILESCC(C)(C)c1ccccc1-c1cncc(CC(C)(C)c2cccc(-c3ccnc4ccccc34)c2)c1
InChIInChI=1S/C34H34N2/c1-33(2,3)31-15-8-6-13-29(31)26-19-24(22-35-23-26)21-34(4,5)27-12-10-11-25(20-27)28-17-18-36-32-16-9-7-14-30(28)32/h6-20,22-23H,21H2,1-5H3
InChIKeyYETRPBOZMBVJFJ-UHFFFAOYSA-N
XLogP8.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.66
LogP ≤ 58.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[3-[1-[5-(2-tert-butylphenyl)-3-pyridinyl]-2-methylpropan-2-yl]phenyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methylphenyl)quinoline
CID 146587179
cyclopenta[d][1]benzazepine
CID 90914140
4-[3-(2,3-diphenylphenyl)phenyl]quinoline
CID 175299153
4-(3-fluorophenyl)quinoline
CID 141309372
2-(3-quinolin-4-ylphenyl)-N-[3-(trifluoromethyl)phenyl]sulfanylpropan-2-amine
CID 145434033
pyrrolo[3,4-d][1]benzazepine
CID 70490498
N-[(3-quinolin-5-ylphenyl)methyl]propan-2-amine
CID 81230330
1,2-bis(3-tert-butylphenyl)benzene
CID 164767999
bis(4-tert-butylquinoline);ethane;methane
CID 158221775
4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline
CID 71174827
3-[4-tert-butyl-2,6-bis(2-tert-butylphenyl)phenyl]pyridine
CID 176828009
4-naphthalen-2-ylquinoline
CID 14173372

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-[5-(2-tert-butylphenyl)-3-pyridinyl]-2-methylpropan-2-yl]phenyl]quinoline?
The IUPAC name of 4-[3-[1-[5-(2-tert-butylphenyl)-3-pyridinyl]-2-methylpropan-2-yl]phenyl]quinoline (CID 167153404) is 4-[3-[1-[5-(2-tert-butylphenyl)-3-pyridinyl]-2-methylpropan-2-yl]phenyl]quinoline.
What is the SMILES notation for 4-[3-[1-[5-(2-tert-butylphenyl)-3-pyridinyl]-2-methylpropan-2-yl]phenyl]quinoline?
The canonical SMILES for 4-[3-[1-[5-(2-tert-butylphenyl)-3-pyridinyl]-2-methylpropan-2-yl]phenyl]quinoline is CC(C)(C)c1ccccc1-c1cncc(CC(C)(C)c2cccc(-c3ccnc4ccccc34)c2)c1.
What is the InChIKey of 4-[3-[1-[5-(2-tert-butylphenyl)-3-pyridinyl]-2-methylpropan-2-yl]phenyl]quinoline?
The InChIKey is YETRPBOZMBVJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N2/c1-33(2,3)31-15-8-6-13-29(31)26-19-24(22-35-23-26)21-34(4,5)27-12-10-11-25(20-27)28-17-18-36-32-16-9-7-14-30(28)32/h6-20,22-23H,21H2,1-5H3.
What are the key properties of 4-[3-[1-[5-(2-tert-butylphenyl)-3-pyridinyl]-2-methylpropan-2-yl]phenyl]quinoline?
4-[3-[1-[5-(2-tert-butylphenyl)-3-pyridinyl]-2-methylpropan-2-yl]phenyl]quinoline has a molecular weight of 470.66 g/mol, XLogP of 8.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-[5-(2-tert-butylphenyl)-3-pyridinyl]-2-methylpropan-2-yl]phenyl]quinoline is sourced from PubChem (CID 167153404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).