5-[3-bromo-5-[2-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]quinoline

C41H26BrN5 — CID 155195979

IUPAC5-[3-bromo-5-[2-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]quinoline
SMILESBrc1cc(-c2cc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc(-c4cccnc4)cc3)n2)cc(-c2cccc3ncccc23)c1
InChIInChI=1S/C41H26BrN5/c42-35-23-33(36-5-1-7-38-37(36)6-3-19-45-38)22-34(24-35)40-25-39(30-12-8-27(9-13-30)29-16-20-43-21-17-29)46-41(47-40)31-14-10-28(11-15-31)32-4-2-18-44-26-32/h1-26H
InChIKeyJOGALDWBWIVNOU-UHFFFAOYSA-N
MW668.60 g/mol
LogP10.58
Rot. Bonds6

About 5-[3-bromo-5-[2-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]quinoline

5-[3-bromo-5-[2-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]quinoline (PubChem CID 155195979) has the molecular formula C41H26BrN5 and a molecular weight of 668.60 g/mol. Its IUPAC name is 5-[3-bromo-5-[2-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]quinoline.

Molecular Properties

Compound Name5-[3-bromo-5-[2-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]quinoline
PubChem CID155195979
Molecular FormulaC41H26BrN5
Molecular Weight668.60 g/mol
Exact Mass667.14
IUPAC Name5-[3-bromo-5-[2-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]quinoline
SMILESBrc1cc(-c2cc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc(-c4cccnc4)cc3)n2)cc(-c2cccc3ncccc23)c1
InChIInChI=1S/C41H26BrN5/c42-35-23-33(36-5-1-7-38-37(36)6-3-19-45-38)22-34(24-35)40-25-39(30-12-8-27(9-13-30)29-16-20-43-21-17-29)46-41(47-40)31-14-10-28(11-15-31)32-4-2-18-44-26-32/h1-26H
InChIKeyJOGALDWBWIVNOU-UHFFFAOYSA-N
XLogP10.58
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.60
LogP ≤ 510.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-bromo-5-[4-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 155708549
4-[4-[6-(3-bromo-5-quinolin-5-ylphenyl)-2-pyridin-4-ylpyrimidin-4-yl]phenyl]benzonitrile
CID 155708623
5-[3-bromo-5-[4-(4-phenylphenyl)-6-pyridin-3-yl-1,3,5-triazin-2-yl]phenyl]quinoline
CID 155708548
4-[4-(3-bromo-5-quinolin-5-ylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 155195864
5-[3-bromo-5-[4-naphthalen-2-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 155195932
6-[4-(3-bromo-5-pyridin-4-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]quinoline
CID 155196021
2,6-diphenyl-4-(4-phenylphenyl)pyridine;2,6-diphenyl-4-(4-pyridin-3-ylphenyl)pyridine;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]isoquinoline;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 160905421
4-(3-bromo-5-pyridin-4-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine
CID 155195925
5-[3-bromo-5-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]quinoline
CID 151431859
2-[3,5-bis(6-phenyl-3-pyridinyl)phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-(3,5-diphenylphenyl)-4,6-bis(3-pyridin-2-ylphenyl)-1,3,5-triazine;2-(3,5-diphenylphenyl)-4,6-bis(3-pyrimidin-2-ylphenyl)pyrimidine;5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenanthren-9-ylphenyl]quinoline;2-(3,5-dipyridin-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-phenanthren-9-yl-5-(3-pyridin-4-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 159224759
2-(3-bromo-5-pyridin-3-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155708589
2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155708562

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-5-[2-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]quinoline?
The IUPAC name of 5-[3-bromo-5-[2-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]quinoline (CID 155195979) is 5-[3-bromo-5-[2-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]quinoline.
What is the SMILES notation for 5-[3-bromo-5-[2-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]quinoline?
The canonical SMILES for 5-[3-bromo-5-[2-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]quinoline is Brc1cc(-c2cc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc(-c4cccnc4)cc3)n2)cc(-c2cccc3ncccc23)c1.
What is the InChIKey of 5-[3-bromo-5-[2-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]quinoline?
The InChIKey is JOGALDWBWIVNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26BrN5/c42-35-23-33(36-5-1-7-38-37(36)6-3-19-45-38)22-34(24-35)40-25-39(30-12-8-27(9-13-30)29-16-20-43-21-17-29)46-41(47-40)31-14-10-28(11-15-31)32-4-2-18-44-26-32/h1-26H.
What are the key properties of 5-[3-bromo-5-[2-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]quinoline?
5-[3-bromo-5-[2-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]quinoline has a molecular weight of 668.60 g/mol, XLogP of 10.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-5-[2-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]quinoline is sourced from PubChem (CID 155195979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).