2-bromo-5-(3,10-diphenylanthracen-9-yl)pyridine;2,2-dimethylpropane

C36H32BrN — CID 142353445

IUPAC2-bromo-5-(3,10-diphenylanthracen-9-yl)pyridine;2,2-dimethylpropane
SMILESBrc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccccc4)ccc23)cn1.CC(C)(C)C
InChIInChI=1S/C31H20BrN.C5H12/c32-29-18-16-24(20-33-29)31-26-14-8-7-13-25(26)30(22-11-5-2-6-12-22)28-19-23(15-17-27(28)31)21-9-3-1-4-10-21;1-5(2,3)4/h1-20H;1-4H3
InChIKeyCAKSRICUQLRAFK-UHFFFAOYSA-N
MW558.56 g/mol
LogP11.20
Rot. Bonds3

About 2-bromo-5-(3,10-diphenylanthracen-9-yl)pyridine;2,2-dimethylpropane

2-bromo-5-(3,10-diphenylanthracen-9-yl)pyridine;2,2-dimethylpropane (PubChem CID 142353445) has the molecular formula C36H32BrN and a molecular weight of 558.56 g/mol. Its IUPAC name is 2-bromo-5-(3,10-diphenylanthracen-9-yl)pyridine;2,2-dimethylpropane.

Molecular Properties

Compound Name2-bromo-5-(3,10-diphenylanthracen-9-yl)pyridine;2,2-dimethylpropane
PubChem CID142353445
Molecular FormulaC36H32BrN
Molecular Weight558.56 g/mol
Exact Mass557.17
IUPAC Name2-bromo-5-(3,10-diphenylanthracen-9-yl)pyridine;2,2-dimethylpropane
SMILESBrc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccccc4)ccc23)cn1.CC(C)(C)C
InChIInChI=1S/C31H20BrN.C5H12/c32-29-18-16-24(20-33-29)31-26-14-8-7-13-25(26)30(22-11-5-2-6-12-22)28-19-23(15-17-27(28)31)21-9-3-1-4-10-21;1-5(2,3)4/h1-20H;1-4H3
InChIKeyCAKSRICUQLRAFK-UHFFFAOYSA-N
XLogP11.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.56
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2-[9,10-bis(4-phenylphenyl)anthracen-2-yl]-5-phenylpyrimidine
CID 90361810
2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene
CID 59745944
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
5-bromo-2-[3-[3-(2,2-dimethylpropyl)phenyl]-10-phenylanthracen-9-yl]pyridine
CID 134531082
2-[4-(3,10-diphenylanthracen-9-yl)phenyl]pyrimidine
CID 90361660
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681
2-[10-(4-phenylphenyl)anthracen-9-yl]triphenylene
CID 59583037
4-[10-[4-(3,10-diphenylanthracen-9-yl)phenyl]anthracen-9-yl]pyridine
CID 89025356
2-bromo-5-(10-dibenzofuran-2-ylanthracen-9-yl)pyridine
CID 134531373

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3,10-diphenylanthracen-9-yl)pyridine;2,2-dimethylpropane?
The IUPAC name of 2-bromo-5-(3,10-diphenylanthracen-9-yl)pyridine;2,2-dimethylpropane (CID 142353445) is 2-bromo-5-(3,10-diphenylanthracen-9-yl)pyridine;2,2-dimethylpropane.
What is the SMILES notation for 2-bromo-5-(3,10-diphenylanthracen-9-yl)pyridine;2,2-dimethylpropane?
The canonical SMILES for 2-bromo-5-(3,10-diphenylanthracen-9-yl)pyridine;2,2-dimethylpropane is Brc1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccccc4)ccc23)cn1.CC(C)(C)C.
What is the InChIKey of 2-bromo-5-(3,10-diphenylanthracen-9-yl)pyridine;2,2-dimethylpropane?
The InChIKey is CAKSRICUQLRAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20BrN.C5H12/c32-29-18-16-24(20-33-29)31-26-14-8-7-13-25(26)30(22-11-5-2-6-12-22)28-19-23(15-17-27(28)31)21-9-3-1-4-10-21;1-5(2,3)4/h1-20H;1-4H3.
What are the key properties of 2-bromo-5-(3,10-diphenylanthracen-9-yl)pyridine;2,2-dimethylpropane?
2-bromo-5-(3,10-diphenylanthracen-9-yl)pyridine;2,2-dimethylpropane has a molecular weight of 558.56 g/mol, XLogP of 11.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3,10-diphenylanthracen-9-yl)pyridine;2,2-dimethylpropane is sourced from PubChem (CID 142353445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).