5-(4-tert-butylphenyl)-1-[(4-pyridin-4-ylphenyl)methyl]indole

C30H28N2 — CID 164627550

IUPAC5-(4-tert-butylphenyl)-1-[(4-pyridin-4-ylphenyl)methyl]indole
SMILESCC(C)(C)c1ccc(-c2ccc3c(ccn3Cc3ccc(-c4ccncc4)cc3)c2)cc1
InChIInChI=1S/C30H28N2/c1-30(2,3)28-11-8-24(9-12-28)26-10-13-29-27(20-26)16-19-32(29)21-22-4-6-23(7-5-22)25-14-17-31-18-15-25/h4-20H,21H2,1-3H3
InChIKeyUHQXKCLILWMAPL-UHFFFAOYSA-N
MW416.57 g/mol
LogP7.72
Rot. Bonds4

About 5-(4-tert-butylphenyl)-1-[(4-pyridin-4-ylphenyl)methyl]indole

5-(4-tert-butylphenyl)-1-[(4-pyridin-4-ylphenyl)methyl]indole (PubChem CID 164627550) has the molecular formula C30H28N2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-1-[(4-pyridin-4-ylphenyl)methyl]indole.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-1-[(4-pyridin-4-ylphenyl)methyl]indole
PubChem CID164627550
Molecular FormulaC30H28N2
Molecular Weight416.57 g/mol
Exact Mass416.23
IUPAC Name5-(4-tert-butylphenyl)-1-[(4-pyridin-4-ylphenyl)methyl]indole
SMILESCC(C)(C)c1ccc(-c2ccc3c(ccn3Cc3ccc(-c4ccncc4)cc3)c2)cc1
InChIInChI=1S/C30H28N2/c1-30(2,3)28-11-8-24(9-12-28)26-10-13-29-27(20-26)16-19-32(29)21-22-4-6-23(7-5-22)25-14-17-31-18-15-25/h4-20H,21H2,1-3H3
InChIKeyUHQXKCLILWMAPL-UHFFFAOYSA-N
XLogP7.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(4-tert-butylphenyl)-1-[(4-pyridin-4-ylphenyl)methyl]indole 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

1-[(4-tert-butylphenyl)methyl]-5-(3-methoxyphenyl)indole
CID 22032965
1-[(4-tert-butylphenyl)methyl]-5-ethylindole
CID 110831210
N-[[1-(pyridin-4-ylmethyl)indol-5-yl]methyl]propan-2-amine
CID 102916071
1-[(4-fluorophenyl)methyl]-5-[4-(trifluoromethoxy)phenyl]indole
CID 11292068
6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile
CID 118427625
1-[(4-methylphenyl)methyl]-5-(2H-tetrazol-5-yl)indole
CID 59122734
1-benzyl-6-[4-(trifluoromethyl)phenyl]indole
CID 22032920
[4-[[5-(trifluoromethyl)indol-1-yl]methyl]phenyl]methanamine
CID 83968569
4-[7-[10-(4-tert-butylphenyl)anthracen-9-yl]naphthalen-2-yl]pyridine
CID 88554710
N'-hydroxy-1-(pyridin-4-ylmethyl)indole-5-carboximidamide
CID 107920748
4-ethenyl-6-[1-[[4-(trifluoromethyl)phenyl]methyl]indol-5-yl]pyridine-2-carbonitrile
CID 118427632
N,N-dimethyl-3-[5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]indol-1-yl]propan-1-amine
CID 129228924

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-1-[(4-pyridin-4-ylphenyl)methyl]indole?
The IUPAC name of 5-(4-tert-butylphenyl)-1-[(4-pyridin-4-ylphenyl)methyl]indole (CID 164627550) is 5-(4-tert-butylphenyl)-1-[(4-pyridin-4-ylphenyl)methyl]indole.
What is the SMILES notation for 5-(4-tert-butylphenyl)-1-[(4-pyridin-4-ylphenyl)methyl]indole?
The canonical SMILES for 5-(4-tert-butylphenyl)-1-[(4-pyridin-4-ylphenyl)methyl]indole is CC(C)(C)c1ccc(-c2ccc3c(ccn3Cc3ccc(-c4ccncc4)cc3)c2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-1-[(4-pyridin-4-ylphenyl)methyl]indole?
The InChIKey is UHQXKCLILWMAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2/c1-30(2,3)28-11-8-24(9-12-28)26-10-13-29-27(20-26)16-19-32(29)21-22-4-6-23(7-5-22)25-14-17-31-18-15-25/h4-20H,21H2,1-3H3.
What are the key properties of 5-(4-tert-butylphenyl)-1-[(4-pyridin-4-ylphenyl)methyl]indole?
5-(4-tert-butylphenyl)-1-[(4-pyridin-4-ylphenyl)methyl]indole has a molecular weight of 416.57 g/mol, XLogP of 7.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-1-[(4-pyridin-4-ylphenyl)methyl]indole is sourced from PubChem (CID 164627550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).