2-[6-[3-(4-tert-butyl-2-pyridinyl)phenyl]-4-(2-indol-1-ylphenyl)-2-pyridinyl]phenol

C40H33N3O — CID 167253461

IUPAC2-[6-[3-(4-tert-butyl-2-pyridinyl)phenyl]-4-(2-indol-1-ylphenyl)-2-pyridinyl]phenol
SMILESCC(C)(C)c1ccnc(-c2cccc(-c3cc(-c4ccccc4-n4ccc5ccccc54)cc(-c4ccccc4O)n3)c2)c1
InChIInChI=1S/C40H33N3O/c1-40(2,3)31-19-21-41-34(26-31)28-12-10-13-29(23-28)35-24-30(25-36(42-35)33-15-6-9-18-39(33)44)32-14-5-8-17-38(32)43-22-20-27-11-4-7-16-37(27)43/h4-26,44H,1-3H3
InChIKeyJXSIRUATCZDNEU-UHFFFAOYSA-N
MW571.72 g/mol
LogP10.09
Rot. Bonds5

About 2-[6-[3-(4-tert-butyl-2-pyridinyl)phenyl]-4-(2-indol-1-ylphenyl)-2-pyridinyl]phenol

2-[6-[3-(4-tert-butyl-2-pyridinyl)phenyl]-4-(2-indol-1-ylphenyl)-2-pyridinyl]phenol (PubChem CID 167253461) has the molecular formula C40H33N3O and a molecular weight of 571.72 g/mol. Its IUPAC name is 2-[6-[3-(4-tert-butyl-2-pyridinyl)phenyl]-4-(2-indol-1-ylphenyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[6-[3-(4-tert-butyl-2-pyridinyl)phenyl]-4-(2-indol-1-ylphenyl)-2-pyridinyl]phenol
PubChem CID167253461
Molecular FormulaC40H33N3O
Molecular Weight571.72 g/mol
Exact Mass571.26
IUPAC Name2-[6-[3-(4-tert-butyl-2-pyridinyl)phenyl]-4-(2-indol-1-ylphenyl)-2-pyridinyl]phenol
SMILESCC(C)(C)c1ccnc(-c2cccc(-c3cc(-c4ccccc4-n4ccc5ccccc54)cc(-c4ccccc4O)n3)c2)c1
InChIInChI=1S/C40H33N3O/c1-40(2,3)31-19-21-41-34(26-31)28-12-10-13-29(23-28)35-24-30(25-36(42-35)33-15-6-9-18-39(33)44)32-14-5-8-17-38(32)43-22-20-27-11-4-7-16-37(27)43/h4-26,44H,1-3H3
InChIKeyJXSIRUATCZDNEU-UHFFFAOYSA-N
XLogP10.09
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.72
LogP ≤ 510.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,5-ditert-butylphenyl)-6-[3-(4-methyl-2-pyridinyl)phenyl]-2-pyridinyl]phenol
CID 167332357
4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
CID 170196288
2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-(2-methoxyphenyl)-4-(2-phenylphenyl)pyridine
CID 167252790
2-[6-[3-[4-[4-carbazol-9-yl-2,6-di(propan-2-yl)phenyl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
CID 159163151
2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-(2-ethynylphenyl)-2-pyridinyl]phenyl]-2-pyridinyl]phenol
CID 165162060
2-[4-(3,5-ditert-butylphenyl)-6-[3-[4-[9-(2,6-dimethyl-4-pyridinyl)carbazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol
CID 170542380
2-[1-[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]-4-[3-[4-(4-methylphenyl)-2-pyridinyl]-5-phenylphenyl]benzimidazol-2-yl]phenol
CID 153476525
2-[6-[3-[4-[9-(8-tert-butylnaphthalen-2-yl)carbazol-1-yl]-2-pyridinyl]phenyl]-4-(3,5-ditert-butylphenyl)-2-pyridinyl]phenol
CID 170676777
4-tert-butyl-2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 176593352
tris(4-tert-butyl-2-(3-phenylphenyl)pyridine);iridium(3+)
CID 161156371
2-[4-[3-tert-butyl-5-[4-(4-methylphenyl)-2-pyridinyl]phenyl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol
CID 153476201
2-[1-(2-tert-butyl-4-phenylphenyl)-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)phenyl]benzimidazol-2-yl]phenol
CID 153481572

Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(4-tert-butyl-2-pyridinyl)phenyl]-4-(2-indol-1-ylphenyl)-2-pyridinyl]phenol?
The IUPAC name of 2-[6-[3-(4-tert-butyl-2-pyridinyl)phenyl]-4-(2-indol-1-ylphenyl)-2-pyridinyl]phenol (CID 167253461) is 2-[6-[3-(4-tert-butyl-2-pyridinyl)phenyl]-4-(2-indol-1-ylphenyl)-2-pyridinyl]phenol.
What is the SMILES notation for 2-[6-[3-(4-tert-butyl-2-pyridinyl)phenyl]-4-(2-indol-1-ylphenyl)-2-pyridinyl]phenol?
The canonical SMILES for 2-[6-[3-(4-tert-butyl-2-pyridinyl)phenyl]-4-(2-indol-1-ylphenyl)-2-pyridinyl]phenol is CC(C)(C)c1ccnc(-c2cccc(-c3cc(-c4ccccc4-n4ccc5ccccc54)cc(-c4ccccc4O)n3)c2)c1.
What is the InChIKey of 2-[6-[3-(4-tert-butyl-2-pyridinyl)phenyl]-4-(2-indol-1-ylphenyl)-2-pyridinyl]phenol?
The InChIKey is JXSIRUATCZDNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H33N3O/c1-40(2,3)31-19-21-41-34(26-31)28-12-10-13-29(23-28)35-24-30(25-36(42-35)33-15-6-9-18-39(33)44)32-14-5-8-17-38(32)43-22-20-27-11-4-7-16-37(27)43/h4-26,44H,1-3H3.
What are the key properties of 2-[6-[3-(4-tert-butyl-2-pyridinyl)phenyl]-4-(2-indol-1-ylphenyl)-2-pyridinyl]phenol?
2-[6-[3-(4-tert-butyl-2-pyridinyl)phenyl]-4-(2-indol-1-ylphenyl)-2-pyridinyl]phenol has a molecular weight of 571.72 g/mol, XLogP of 10.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(4-tert-butyl-2-pyridinyl)phenyl]-4-(2-indol-1-ylphenyl)-2-pyridinyl]phenol is sourced from PubChem (CID 167253461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).