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

C40H26Br2N2 — CID 58693072

IUPAC2-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine
SMILESBrc1ccccc1-c1cc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4Br)c3)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C40H26Br2N2/c41-35-20-9-7-18-33(35)39-25-31(23-37(43-39)27-12-3-1-4-13-27)29-16-11-17-30(22-29)32-24-38(28-14-5-2-6-15-28)44-40(26-32)34-19-8-10-21-36(34)42/h1-26H
InChIKeyYPKHIRGSBBGZHM-UHFFFAOYSA-N
MW694.47 g/mol
LogP12.00
Rot. Bonds6

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

2-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine (PubChem CID 58693072) has the molecular formula C40H26Br2N2 and a molecular weight of 694.47 g/mol. Its IUPAC name is 2-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine.

Molecular Properties

Compound Name2-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine
PubChem CID58693072
Molecular FormulaC40H26Br2N2
Molecular Weight694.47 g/mol
Exact Mass692.05
IUPAC Name2-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine
SMILESBrc1ccccc1-c1cc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4Br)c3)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C40H26Br2N2/c41-35-20-9-7-18-33(35)39-25-31(23-37(43-39)27-12-3-1-4-13-27)29-16-11-17-30(22-29)32-24-38(28-14-5-2-6-15-28)44-40(26-32)34-19-8-10-21-36(34)42/h1-26H
InChIKeyYPKHIRGSBBGZHM-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-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine?
The IUPAC name of 2-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine (CID 58693072) is 2-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine.
What is the SMILES notation for 2-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine?
The canonical SMILES for 2-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine is Brc1ccccc1-c1cc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4ccccc4Br)c3)c2)cc(-c2ccccc2)n1.
What is the InChIKey of 2-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine?
The InChIKey is YPKHIRGSBBGZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26Br2N2/c41-35-20-9-7-18-33(35)39-25-31(23-37(43-39)27-12-3-1-4-13-27)29-16-11-17-30(22-29)32-24-38(28-14-5-2-6-15-28)44-40(26-32)34-19-8-10-21-36(34)42/h1-26H.
What are the key properties of 2-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine?
2-(2-bromophenyl)-4-[3-[2-(2-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-(2-bromophenyl)-4-[3-[2-(2-bromophenyl)-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine is sourced from PubChem (CID 58693072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).