[2-[3-tert-butyl-5-[3-tert-butyl-5-(4-propan-2-yl-2-pyridinyl)phenoxy]phenyl]-4-pyridinyl]-diphenylstibane

C45H47N2OSb — CID 164733553

IUPAC[2-[3-tert-butyl-5-[3-tert-butyl-5-(4-propan-2-yl-2-pyridinyl)phenoxy]phenyl]-4-pyridinyl]-diphenylstibane
SMILESCC(C)c1ccnc(-c2cc(Oc3cc(-c4cc([Sb](c5ccccc5)c5ccccc5)ccn4)cc(C(C)(C)C)c3)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C33H37N2O.2C6H5.Sb/c1-22(2)23-12-14-35-31(19-23)25-16-27(33(6,7)8)21-29(18-25)36-28-17-24(30-11-9-10-13-34-30)15-26(20-28)32(3,4)5;2*1-2-4-6-5-3-1;/h10-22H,1-8H3;2*1-5H;
InChIKeyYHVWQDUUJZSBPA-UHFFFAOYSA-N
MW753.64 g/mol
LogP9.84
Rot. Bonds8

About [2-[3-tert-butyl-5-[3-tert-butyl-5-(4-propan-2-yl-2-pyridinyl)phenoxy]phenyl]-4-pyridinyl]-diphenylstibane

[2-[3-tert-butyl-5-[3-tert-butyl-5-(4-propan-2-yl-2-pyridinyl)phenoxy]phenyl]-4-pyridinyl]-diphenylstibane (PubChem CID 164733553) has the molecular formula C45H47N2OSb and a molecular weight of 753.64 g/mol. Its IUPAC name is [2-[3-tert-butyl-5-[3-tert-butyl-5-(4-propan-2-yl-2-pyridinyl)phenoxy]phenyl]-4-pyridinyl]-diphenylstibane.

Molecular Properties

Compound Name[2-[3-tert-butyl-5-[3-tert-butyl-5-(4-propan-2-yl-2-pyridinyl)phenoxy]phenyl]-4-pyridinyl]-diphenylstibane
PubChem CID164733553
Molecular FormulaC45H47N2OSb
Molecular Weight753.64 g/mol
Exact Mass752.27
IUPAC Name[2-[3-tert-butyl-5-[3-tert-butyl-5-(4-propan-2-yl-2-pyridinyl)phenoxy]phenyl]-4-pyridinyl]-diphenylstibane
SMILESCC(C)c1ccnc(-c2cc(Oc3cc(-c4cc([Sb](c5ccccc5)c5ccccc5)ccn4)cc(C(C)(C)C)c3)cc(C(C)(C)C)c2)c1
InChIInChI=1S/C33H37N2O.2C6H5.Sb/c1-22(2)23-12-14-35-31(19-23)25-16-27(33(6,7)8)21-29(18-25)36-28-17-24(30-11-9-10-13-34-30)15-26(20-28)32(3,4)5;2*1-2-4-6-5-3-1;/h10-22H,1-8H3;2*1-5H;
InChIKeyYHVWQDUUJZSBPA-UHFFFAOYSA-N
XLogP9.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.64
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-[3-tert-butyl-5-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]isoquinoline
CID 153428756
2-[3-tert-butyl-5-[3-(3-methylimidazole-1,3-diium-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)pyridine
CID 168758281
4-propan-2-yl-2-(4-propan-2-yl-2-pyridinyl)pyridine
CID 15771889
1-[3-(3-tert-butyl-5-isoquinolin-3-ylphenoxy)phenyl]isoquinoline
CID 153428960
2-(3-bromophenyl)-4-propan-2-ylpyridine
CID 118651864
4-tert-butyl-2-(4-propan-2-ylphenyl)pyridine
CID 178179780
1-[3-tert-butyl-5-[4-(4-tert-butyl-2-pyridinyl)naphthalen-2-yl]oxyphenyl]isoquinoline
CID 153429141
2-[3-[3-tert-butyl-5-(3-methylimidazole-1,3-diium-1-yl)phenoxy]phenyl]-4-(3-phenoxyphenyl)pyridine
CID 168758464
4-tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)phenyl]-6-phenylpyridine
CID 170196288
4-tert-butyl-2-[3-[1-(4-tert-butyl-2-pyridinyl)-5,5-diethylbenzo[b][1]benzogermol-3-yl]oxyphenyl]pyridine
CID 172528313
2-(3-tert-butyl-5-pyridin-2-ylphenoxy)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
CID 158919031
acetic acid;4-tert-butyl-2-[3-tert-butyl-5-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]pyridine;4-tert-butyl-2-[3-tert-butyl-5-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)oxybenzene-6-id-1-yl]pyridine;octa-2,4,6-triyne;palladium;palladium(2+)
CID 157178416

Frequently Asked Questions

What is the IUPAC name of [2-[3-tert-butyl-5-[3-tert-butyl-5-(4-propan-2-yl-2-pyridinyl)phenoxy]phenyl]-4-pyridinyl]-diphenylstibane?
The IUPAC name of [2-[3-tert-butyl-5-[3-tert-butyl-5-(4-propan-2-yl-2-pyridinyl)phenoxy]phenyl]-4-pyridinyl]-diphenylstibane (CID 164733553) is [2-[3-tert-butyl-5-[3-tert-butyl-5-(4-propan-2-yl-2-pyridinyl)phenoxy]phenyl]-4-pyridinyl]-diphenylstibane.
What is the SMILES notation for [2-[3-tert-butyl-5-[3-tert-butyl-5-(4-propan-2-yl-2-pyridinyl)phenoxy]phenyl]-4-pyridinyl]-diphenylstibane?
The canonical SMILES for [2-[3-tert-butyl-5-[3-tert-butyl-5-(4-propan-2-yl-2-pyridinyl)phenoxy]phenyl]-4-pyridinyl]-diphenylstibane is CC(C)c1ccnc(-c2cc(Oc3cc(-c4cc([Sb](c5ccccc5)c5ccccc5)ccn4)cc(C(C)(C)C)c3)cc(C(C)(C)C)c2)c1.
What is the InChIKey of [2-[3-tert-butyl-5-[3-tert-butyl-5-(4-propan-2-yl-2-pyridinyl)phenoxy]phenyl]-4-pyridinyl]-diphenylstibane?
The InChIKey is YHVWQDUUJZSBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N2O.2C6H5.Sb/c1-22(2)23-12-14-35-31(19-23)25-16-27(33(6,7)8)21-29(18-25)36-28-17-24(30-11-9-10-13-34-30)15-26(20-28)32(3,4)5;2*1-2-4-6-5-3-1;/h10-22H,1-8H3;2*1-5H;.
What are the key properties of [2-[3-tert-butyl-5-[3-tert-butyl-5-(4-propan-2-yl-2-pyridinyl)phenoxy]phenyl]-4-pyridinyl]-diphenylstibane?
[2-[3-tert-butyl-5-[3-tert-butyl-5-(4-propan-2-yl-2-pyridinyl)phenoxy]phenyl]-4-pyridinyl]-diphenylstibane has a molecular weight of 753.64 g/mol, XLogP of 9.84, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-tert-butyl-5-[3-tert-butyl-5-(4-propan-2-yl-2-pyridinyl)phenoxy]phenyl]-4-pyridinyl]-diphenylstibane is sourced from PubChem (CID 164733553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).