3-[3-[3,5-bis(3-bromo-5-pyridin-3-ylphenyl)phenyl]-5-bromophenyl]pyridine

C39H24Br3N3 — CID 139448704

IUPAC3-[3-[3,5-bis(3-bromo-5-pyridin-3-ylphenyl)phenyl]-5-bromophenyl]pyridine
SMILESBrc1cc(-c2cccnc2)cc(-c2cc(-c3cc(Br)cc(-c4cccnc4)c3)cc(-c3cc(Br)cc(-c4cccnc4)c3)c2)c1
InChIInChI=1S/C39H24Br3N3/c40-37-16-31(25-4-1-7-43-22-25)13-34(19-37)28-10-29(35-14-32(17-38(41)20-35)26-5-2-8-44-23-26)12-30(11-28)36-15-33(18-39(42)21-36)27-6-3-9-45-24-27/h1-24H
InChIKeyVKQSSMYNKKCCFD-UHFFFAOYSA-N
MW774.35 g/mol
LogP12.16
Rot. Bonds6

About 3-[3-[3,5-bis(3-bromo-5-pyridin-3-ylphenyl)phenyl]-5-bromophenyl]pyridine

3-[3-[3,5-bis(3-bromo-5-pyridin-3-ylphenyl)phenyl]-5-bromophenyl]pyridine (PubChem CID 139448704) has the molecular formula C39H24Br3N3 and a molecular weight of 774.35 g/mol. Its IUPAC name is 3-[3-[3,5-bis(3-bromo-5-pyridin-3-ylphenyl)phenyl]-5-bromophenyl]pyridine.

Molecular Properties

Compound Name3-[3-[3,5-bis(3-bromo-5-pyridin-3-ylphenyl)phenyl]-5-bromophenyl]pyridine
PubChem CID139448704
Molecular FormulaC39H24Br3N3
Molecular Weight774.35 g/mol
Exact Mass770.95
IUPAC Name3-[3-[3,5-bis(3-bromo-5-pyridin-3-ylphenyl)phenyl]-5-bromophenyl]pyridine
SMILESBrc1cc(-c2cccnc2)cc(-c2cc(-c3cc(Br)cc(-c4cccnc4)c3)cc(-c3cc(Br)cc(-c4cccnc4)c3)c2)c1
InChIInChI=1S/C39H24Br3N3/c40-37-16-31(25-4-1-7-43-22-25)13-34(19-37)28-10-29(35-14-32(17-38(41)20-35)26-5-2-8-44-23-26)12-30(11-28)36-15-33(18-39(42)21-36)27-6-3-9-45-24-27/h1-24H
InChIKeyVKQSSMYNKKCCFD-UHFFFAOYSA-N
XLogP12.16
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.35
LogP ≤ 512.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[3,5-Bis[5-(3-phenylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]-3-phenylpyridin-1-ium tribromide
CID 23729443
3-Benzyl-1-[5-[2,4,5-tris[5-(3-benzylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium tetrabromide
CID 44159304
3-Phenyl-1-[5-[2,4,5-tris[5-(3-phenylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium tetrabromide
CID 44159538
4'-(4-Bromophenyl)-2,2':6',2''-terpyridine
CID 10762837
[3-(3-Bromo-phenyl)-3-pyridin-3-yl-allyl]-dimethyl-amine
CID 20478929
1-[5-[3,5-Bis[5-(3-phenylpyridin-1-ium-1-yl)pent-1-ynyl]phenyl]pent-4-ynyl]-3-phenylpyridin-1-ium tribromide
CID 23729371
Isoquinolinium, 2,2a(2),2a(2)a(2)-(1,3,5-benzenetriyltri-5,1-pentanediyl)tris-, bromide (1:3)
CID 23729447
1-[5-[3,5-Bis[5-(3-methylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]-3-methylpyridin-1-ium tribromide
CID 23729472
4-Cyclohexyl-1-[[3-[3-[(4-cyclohexylpyridin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]pyridin-1-ium dibromide
CID 52951935
4-Phenyl-1-[[3-[3-[(4-phenylpyridin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]pyridin-1-ium dibromide
CID 52952035
Tris(2-phenylpyridine)iridium
CID 45358635
4,4',4''-Tris[(3-methylphenyl)phenylamino]triphenylamine
CID 51358305

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3,5-bis(3-bromo-5-pyridin-3-ylphenyl)phenyl]-5-bromophenyl]pyridine?
The IUPAC name of 3-[3-[3,5-bis(3-bromo-5-pyridin-3-ylphenyl)phenyl]-5-bromophenyl]pyridine (CID 139448704) is 3-[3-[3,5-bis(3-bromo-5-pyridin-3-ylphenyl)phenyl]-5-bromophenyl]pyridine.
What is the SMILES notation for 3-[3-[3,5-bis(3-bromo-5-pyridin-3-ylphenyl)phenyl]-5-bromophenyl]pyridine?
The canonical SMILES for 3-[3-[3,5-bis(3-bromo-5-pyridin-3-ylphenyl)phenyl]-5-bromophenyl]pyridine is Brc1cc(-c2cccnc2)cc(-c2cc(-c3cc(Br)cc(-c4cccnc4)c3)cc(-c3cc(Br)cc(-c4cccnc4)c3)c2)c1.
What is the InChIKey of 3-[3-[3,5-bis(3-bromo-5-pyridin-3-ylphenyl)phenyl]-5-bromophenyl]pyridine?
The InChIKey is VKQSSMYNKKCCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24Br3N3/c40-37-16-31(25-4-1-7-43-22-25)13-34(19-37)28-10-29(35-14-32(17-38(41)20-35)26-5-2-8-44-23-26)12-30(11-28)36-15-33(18-39(42)21-36)27-6-3-9-45-24-27/h1-24H.
What are the key properties of 3-[3-[3,5-bis(3-bromo-5-pyridin-3-ylphenyl)phenyl]-5-bromophenyl]pyridine?
3-[3-[3,5-bis(3-bromo-5-pyridin-3-ylphenyl)phenyl]-5-bromophenyl]pyridine has a molecular weight of 774.35 g/mol, XLogP of 12.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3,5-bis(3-bromo-5-pyridin-3-ylphenyl)phenyl]-5-bromophenyl]pyridine is sourced from PubChem (CID 139448704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).