2-(3-bromophenyl)-6-[2-[6-(3-bromophenyl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine

C27H24Br2N2O2 — CID 59342158

IUPAC2-(3-bromophenyl)-6-[2-[6-(3-bromophenyl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine
SMILESCOc1cc(-c2cccc(Br)c2)nc(C(C)(C)c2cc(OC)cc(-c3cccc(Br)c3)n2)c1
InChIInChI=1S/C27H24Br2N2O2/c1-27(2,25-15-21(32-3)13-23(30-25)17-7-5-9-19(28)11-17)26-16-22(33-4)14-24(31-26)18-8-6-10-20(29)12-18/h5-16H,1-4H3
InChIKeyZSVFIVCINYHIBM-UHFFFAOYSA-N
MW568.31 g/mol
LogP7.68
Rot. Bonds6

About 2-(3-bromophenyl)-6-[2-[6-(3-bromophenyl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine

2-(3-bromophenyl)-6-[2-[6-(3-bromophenyl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine (PubChem CID 59342158) has the molecular formula C27H24Br2N2O2 and a molecular weight of 568.31 g/mol. Its IUPAC name is 2-(3-bromophenyl)-6-[2-[6-(3-bromophenyl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine.

Molecular Properties

Compound Name2-(3-bromophenyl)-6-[2-[6-(3-bromophenyl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine
PubChem CID59342158
Molecular FormulaC27H24Br2N2O2
Molecular Weight568.31 g/mol
Exact Mass566.02
IUPAC Name2-(3-bromophenyl)-6-[2-[6-(3-bromophenyl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine
SMILESCOc1cc(-c2cccc(Br)c2)nc(C(C)(C)c2cc(OC)cc(-c3cccc(Br)c3)n2)c1
InChIInChI=1S/C27H24Br2N2O2/c1-27(2,25-15-21(32-3)13-23(30-25)17-7-5-9-19(28)11-17)26-16-22(33-4)14-24(31-26)18-8-6-10-20(29)12-18/h5-16H,1-4H3
InChIKeyZSVFIVCINYHIBM-UHFFFAOYSA-N
XLogP7.68
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.31
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 75359610
1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034
2,6-bis(3-fluorophenyl)-4-methoxypyridine
CID 46313611
3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]-2,2-dimethylpropan-1-amine
CID 116893114
6-N-[4-[2-amino-6-(3-bromophenyl)pyrimidin-4-yl]phenyl]-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 71493670
4-(3-bromophenyl)-1-(4-methoxyphenyl)sulfonyltriazole
CID 142733860
2,6-bis(3-bromophenyl)-4-phenylpyridine
CID 59428691
2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine
CID 154704995
4,6-bis(3-bromophenyl)-2-phenylpyrimidine
CID 71270022
3-(3-bromophenyl)-6-(4-methoxyphenyl)-1,2,4-triazine
CID 156613211
4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane
CID 142385026
3-(3-bromophenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole
CID 71713430

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-6-[2-[6-(3-bromophenyl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine?
The IUPAC name of 2-(3-bromophenyl)-6-[2-[6-(3-bromophenyl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine (CID 59342158) is 2-(3-bromophenyl)-6-[2-[6-(3-bromophenyl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine.
What is the SMILES notation for 2-(3-bromophenyl)-6-[2-[6-(3-bromophenyl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine?
The canonical SMILES for 2-(3-bromophenyl)-6-[2-[6-(3-bromophenyl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine is COc1cc(-c2cccc(Br)c2)nc(C(C)(C)c2cc(OC)cc(-c3cccc(Br)c3)n2)c1.
What is the InChIKey of 2-(3-bromophenyl)-6-[2-[6-(3-bromophenyl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine?
The InChIKey is ZSVFIVCINYHIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Br2N2O2/c1-27(2,25-15-21(32-3)13-23(30-25)17-7-5-9-19(28)11-17)26-16-22(33-4)14-24(31-26)18-8-6-10-20(29)12-18/h5-16H,1-4H3.
What are the key properties of 2-(3-bromophenyl)-6-[2-[6-(3-bromophenyl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine?
2-(3-bromophenyl)-6-[2-[6-(3-bromophenyl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine has a molecular weight of 568.31 g/mol, XLogP of 7.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-6-[2-[6-(3-bromophenyl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine is sourced from PubChem (CID 59342158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).