2-[5-[3,5-di(propan-2-yl)phenyl]-6-[3-(3H-indol-2-yl)phenyl]-2-pyridinyl]phenol

C37H34N2O — CID 162004985

IUPAC2-[5-[3,5-di(propan-2-yl)phenyl]-6-[3-(3H-indol-2-yl)phenyl]-2-pyridinyl]phenol
SMILESCC(C)c1cc(-c2ccc(-c3ccccc3O)nc2-c2cccc(C3=Nc4ccccc4C3)c2)cc(C(C)C)c1
InChIInChI=1S/C37H34N2O/c1-23(2)28-19-29(24(3)4)21-30(20-28)31-16-17-34(32-13-6-8-15-36(32)40)39-37(31)27-12-9-11-25(18-27)35-22-26-10-5-7-14-33(26)38-35/h5-21,23-24,40H,22H2,1-4H3
InChIKeyJMRDNCAPLASVMW-UHFFFAOYSA-N
MW522.69 g/mol
LogP9.71
Rot. Bonds6

About 2-[5-[3,5-di(propan-2-yl)phenyl]-6-[3-(3H-indol-2-yl)phenyl]-2-pyridinyl]phenol

2-[5-[3,5-di(propan-2-yl)phenyl]-6-[3-(3H-indol-2-yl)phenyl]-2-pyridinyl]phenol (PubChem CID 162004985) has the molecular formula C37H34N2O and a molecular weight of 522.69 g/mol. Its IUPAC name is 2-[5-[3,5-di(propan-2-yl)phenyl]-6-[3-(3H-indol-2-yl)phenyl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[5-[3,5-di(propan-2-yl)phenyl]-6-[3-(3H-indol-2-yl)phenyl]-2-pyridinyl]phenol
PubChem CID162004985
Molecular FormulaC37H34N2O
Molecular Weight522.69 g/mol
Exact Mass522.27
IUPAC Name2-[5-[3,5-di(propan-2-yl)phenyl]-6-[3-(3H-indol-2-yl)phenyl]-2-pyridinyl]phenol
SMILESCC(C)c1cc(-c2ccc(-c3ccccc3O)nc2-c2cccc(C3=Nc4ccccc4C3)c2)cc(C(C)C)c1
InChIInChI=1S/C37H34N2O/c1-23(2)28-19-29(24(3)4)21-30(20-28)31-16-17-34(32-13-6-8-15-36(32)40)39-37(31)27-12-9-11-25(18-27)35-22-26-10-5-7-14-33(26)38-35/h5-21,23-24,40H,22H2,1-4H3
InChIKeyJMRDNCAPLASVMW-UHFFFAOYSA-N
XLogP9.71
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 59.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3,5-di(propan-2-yl)phenyl]-6-[3-(3H-indol-2-yl)benzene-2-id-1-yl]-2-pyridinyl]phenol;2-[4-[3,5-di(propan-2-yl)phenyl]-6-(2-phenyl-3H-indol-7-yl)-2-pyridinyl]phenol;4-[3,5-di(propan-2-yl)phenyl]-2-[6-(2-phenyl-3H-indol-7-yl)-2-pyridinyl]phenol;2-[3-[3-(3H-indol-2-yl)benzene-2-id-1-yl]-6-propan-2-ylisoquinolin-1-yl]phenol;platinum
CID 161075120
benzene;ethane;2-phenyl-3H-indole
CID 91573421
2-[6-[3-(1H-benzimidazol-2-yl)phenyl]-5-[3,5-di(propan-2-yl)phenyl]-4-methyl-2-pyridinyl]phenol
CID 176862333
2-[1-(2,6-dimethylphenyl)-4-[3-[2-[3,5-di(propan-2-yl)phenyl]-6-phenylphenyl]phenyl]benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171734335
6-[3,5-di(propan-2-yl)phenyl]-2-[3-[2,6-di(propan-2-yl)phenyl]-2-phenyl-3H-indol-7-yl]-5H-indeno[1,2-b]pyridin-9-ol
CID 158597422
ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole
CID 91030329
2-[4-(3-hydroxyphenyl)-5H-indeno[1,2-b]pyridin-2-yl]phenol
CID 142731316
2-[3-methyl-7-(3-propan-2-yl-5-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
CID 140864143
4-chloro-2-(3H-indol-2-yl)phenol
CID 158565703
ethane;2-[3-[4-(2-methylpropyl)cyclohexyl]phenyl]-3H-indole
CID 143815957
4-(3H-indol-2-yl)-N-methyl-N-(4-phenylphenyl)aniline;N-[4-(3H-indol-2-yl)phenyl]-N-methyl-2-phenylaniline;N-[4-(3H-indol-2-yl)phenyl]-N-methyl-3-phenylaniline;4-[3-(3H-indol-2-yl)phenyl]-N-methyl-N-phenylaniline
CID 158357708
2-[5-(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylphenyl]-3H-indole
CID 70870233

Frequently Asked Questions

What is the IUPAC name of 2-[5-[3,5-di(propan-2-yl)phenyl]-6-[3-(3H-indol-2-yl)phenyl]-2-pyridinyl]phenol?
The IUPAC name of 2-[5-[3,5-di(propan-2-yl)phenyl]-6-[3-(3H-indol-2-yl)phenyl]-2-pyridinyl]phenol (CID 162004985) is 2-[5-[3,5-di(propan-2-yl)phenyl]-6-[3-(3H-indol-2-yl)phenyl]-2-pyridinyl]phenol.
What is the SMILES notation for 2-[5-[3,5-di(propan-2-yl)phenyl]-6-[3-(3H-indol-2-yl)phenyl]-2-pyridinyl]phenol?
The canonical SMILES for 2-[5-[3,5-di(propan-2-yl)phenyl]-6-[3-(3H-indol-2-yl)phenyl]-2-pyridinyl]phenol is CC(C)c1cc(-c2ccc(-c3ccccc3O)nc2-c2cccc(C3=Nc4ccccc4C3)c2)cc(C(C)C)c1.
What is the InChIKey of 2-[5-[3,5-di(propan-2-yl)phenyl]-6-[3-(3H-indol-2-yl)phenyl]-2-pyridinyl]phenol?
The InChIKey is JMRDNCAPLASVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34N2O/c1-23(2)28-19-29(24(3)4)21-30(20-28)31-16-17-34(32-13-6-8-15-36(32)40)39-37(31)27-12-9-11-25(18-27)35-22-26-10-5-7-14-33(26)38-35/h5-21,23-24,40H,22H2,1-4H3.
What are the key properties of 2-[5-[3,5-di(propan-2-yl)phenyl]-6-[3-(3H-indol-2-yl)phenyl]-2-pyridinyl]phenol?
2-[5-[3,5-di(propan-2-yl)phenyl]-6-[3-(3H-indol-2-yl)phenyl]-2-pyridinyl]phenol has a molecular weight of 522.69 g/mol, XLogP of 9.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3,5-di(propan-2-yl)phenyl]-6-[3-(3H-indol-2-yl)phenyl]-2-pyridinyl]phenol is sourced from PubChem (CID 162004985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).