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

C35H22BrN5 — CID 155196021

IUPAC6-[4-(3-bromo-5-pyridin-4-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]quinoline
SMILESBrc1cc(-c2ccncc2)cc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3ccc4ncccc4c3)n2)c1
InChIInChI=1S/C35H22BrN5/c36-31-19-29(24-11-15-37-16-12-24)18-30(20-31)34-21-33(25-7-5-23(6-8-25)28-4-1-13-38-22-28)40-35(41-34)27-9-10-32-26(17-27)3-2-14-39-32/h1-22H
InChIKeyGDYFOEKAXICKMW-UHFFFAOYSA-N
MW592.50 g/mol
LogP8.91
Rot. Bonds5

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

6-[4-(3-bromo-5-pyridin-4-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]quinoline (PubChem CID 155196021) has the molecular formula C35H22BrN5 and a molecular weight of 592.50 g/mol. Its IUPAC name is 6-[4-(3-bromo-5-pyridin-4-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]quinoline.

Molecular Properties

Compound Name6-[4-(3-bromo-5-pyridin-4-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]quinoline
PubChem CID155196021
Molecular FormulaC35H22BrN5
Molecular Weight592.50 g/mol
Exact Mass591.11
IUPAC Name6-[4-(3-bromo-5-pyridin-4-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]quinoline
SMILESBrc1cc(-c2ccncc2)cc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3ccc4ncccc4c3)n2)c1
InChIInChI=1S/C35H22BrN5/c36-31-19-29(24-11-15-37-16-12-24)18-30(20-31)34-21-33(25-7-5-23(6-8-25)28-4-1-13-38-22-28)40-35(41-34)27-9-10-32-26(17-27)3-2-14-39-32/h1-22H
InChIKeyGDYFOEKAXICKMW-UHFFFAOYSA-N
XLogP8.91
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.50
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(3-bromo-5-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]quinoline
CID 155195938
4-(3-bromo-5-pyridin-4-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-3-ylpyrimidine
CID 155195925
5-[3-bromo-5-[2-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)pyrimidin-4-yl]phenyl]quinoline
CID 155195979
2-(3-bromo-5-pyridin-4-ylphenyl)-4-pyridin-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155708562
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-3-ylphenyl)-4-(4-phenylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 155708586
3-[6-phenyl-2-[3-(3-pyridin-3-ylphenyl)-5-(4-pyridin-3-ylphenyl)phenyl]pyrimidin-4-yl]quinoline
CID 169294630
2-(3-bromo-5-pyridin-3-ylphenyl)-4,6-bis(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155195987
6-[4,6-bis(4-anthracen-2-ylphenyl)pyrimidin-2-yl]quinoline
CID 154599222
5-[3-bromo-5-[4-(4-pyridin-3-ylphenyl)-6-(4-pyridin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 155708549
4,6-bis(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylpyrimidine
CID 102345540
4-(4-phenylphenyl)-2-pyridin-4-yl-6-[3-(3-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 130465703

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-bromo-5-pyridin-4-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]quinoline?
The IUPAC name of 6-[4-(3-bromo-5-pyridin-4-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]quinoline (CID 155196021) is 6-[4-(3-bromo-5-pyridin-4-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]quinoline.
What is the SMILES notation for 6-[4-(3-bromo-5-pyridin-4-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]quinoline?
The canonical SMILES for 6-[4-(3-bromo-5-pyridin-4-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]quinoline is Brc1cc(-c2ccncc2)cc(-c2cc(-c3ccc(-c4cccnc4)cc3)nc(-c3ccc4ncccc4c3)n2)c1.
What is the InChIKey of 6-[4-(3-bromo-5-pyridin-4-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]quinoline?
The InChIKey is GDYFOEKAXICKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H22BrN5/c36-31-19-29(24-11-15-37-16-12-24)18-30(20-31)34-21-33(25-7-5-23(6-8-25)28-4-1-13-38-22-28)40-35(41-34)27-9-10-32-26(17-27)3-2-14-39-32/h1-22H.
What are the key properties of 6-[4-(3-bromo-5-pyridin-4-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]quinoline?
6-[4-(3-bromo-5-pyridin-4-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]quinoline has a molecular weight of 592.50 g/mol, XLogP of 8.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-bromo-5-pyridin-4-ylphenyl)-6-(4-pyridin-3-ylphenyl)pyrimidin-2-yl]quinoline is sourced from PubChem (CID 155196021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).