2-(4-bromophenyl)-4-[3-[2-(4-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine

C40H26Br2N2 — CID 58692921

IUPAC2-(4-bromophenyl)-4-[3-[2-(4-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine
SMILESBrc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccc(Br)cc5)c4)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C40H26Br2N2/c41-35-18-14-29(15-19-35)39-25-33(23-37(43-39)27-8-3-1-4-9-27)31-12-7-13-32(22-31)34-24-38(28-10-5-2-6-11-28)44-40(26-34)30-16-20-36(42)21-17-30/h1-26H
InChIKeyXZQMDVGPMXONGP-UHFFFAOYSA-N
MW694.47 g/mol
LogP12.00
Rot. Bonds6

About 2-(4-bromophenyl)-4-[3-[2-(4-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine

2-(4-bromophenyl)-4-[3-[2-(4-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine (PubChem CID 58692921) has the molecular formula C40H26Br2N2 and a molecular weight of 694.47 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-[3-[2-(4-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-[3-[2-(4-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine
PubChem CID58692921
Molecular FormulaC40H26Br2N2
Molecular Weight694.47 g/mol
Exact Mass692.05
IUPAC Name2-(4-bromophenyl)-4-[3-[2-(4-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine
SMILESBrc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccc(Br)cc5)c4)c3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C40H26Br2N2/c41-35-18-14-29(15-19-35)39-25-33(23-37(43-39)27-8-3-1-4-9-27)31-12-7-13-32(22-31)34-24-38(28-10-5-2-6-11-28)44-40(26-34)30-16-20-36(42)21-17-30/h1-26H
InChIKeyXZQMDVGPMXONGP-UHFFFAOYSA-N
XLogP12.00
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.47
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-[3-[2-(4-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine?
The IUPAC name of 2-(4-bromophenyl)-4-[3-[2-(4-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine (CID 58692921) is 2-(4-bromophenyl)-4-[3-[2-(4-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine.
What is the SMILES notation for 2-(4-bromophenyl)-4-[3-[2-(4-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine?
The canonical SMILES for 2-(4-bromophenyl)-4-[3-[2-(4-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine is Brc1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5ccc(Br)cc5)c4)c3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-[3-[2-(4-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine?
The InChIKey is XZQMDVGPMXONGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26Br2N2/c41-35-18-14-29(15-19-35)39-25-33(23-37(43-39)27-8-3-1-4-9-27)31-12-7-13-32(22-31)34-24-38(28-10-5-2-6-11-28)44-40(26-34)30-16-20-36(42)21-17-30/h1-26H.
What are the key properties of 2-(4-bromophenyl)-4-[3-[2-(4-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine?
2-(4-bromophenyl)-4-[3-[2-(4-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine has a molecular weight of 694.47 g/mol, XLogP of 12.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-[3-[2-(4-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine is sourced from PubChem (CID 58692921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).