5-[3-bromo-5-[4-(4-pyridin-4-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]phenyl]quinoline

C38H23BrN6 — CID 155195950

IUPAC5-[3-bromo-5-[4-(4-pyridin-4-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESBrc1cc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc4ncccc4c3)n2)cc(-c2cccc3ncccc23)c1
InChIInChI=1S/C38H23BrN6/c39-31-22-29(32-5-1-7-35-33(32)6-3-17-42-35)21-30(23-31)38-44-36(26-10-8-24(9-11-26)25-14-18-40-19-15-25)43-37(45-38)28-12-13-34-27(20-28)4-2-16-41-34/h1-23H
InChIKeyIJQXWIACUZESAS-UHFFFAOYSA-N
MW643.55 g/mol
LogP9.46
Rot. Bonds5

About 5-[3-bromo-5-[4-(4-pyridin-4-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]phenyl]quinoline

5-[3-bromo-5-[4-(4-pyridin-4-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]phenyl]quinoline (PubChem CID 155195950) has the molecular formula C38H23BrN6 and a molecular weight of 643.55 g/mol. Its IUPAC name is 5-[3-bromo-5-[4-(4-pyridin-4-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]phenyl]quinoline.

Molecular Properties

Compound Name5-[3-bromo-5-[4-(4-pyridin-4-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]phenyl]quinoline
PubChem CID155195950
Molecular FormulaC38H23BrN6
Molecular Weight643.55 g/mol
Exact Mass642.12
IUPAC Name5-[3-bromo-5-[4-(4-pyridin-4-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESBrc1cc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc4ncccc4c3)n2)cc(-c2cccc3ncccc23)c1
InChIInChI=1S/C38H23BrN6/c39-31-22-29(32-5-1-7-35-33(32)6-3-17-42-35)21-30(23-31)38-44-36(26-10-8-24(9-11-26)25-14-18-40-19-15-25)43-37(45-38)28-12-13-34-27(20-28)4-2-16-41-34/h1-23H
InChIKeyIJQXWIACUZESAS-UHFFFAOYSA-N
XLogP9.46
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.55
LogP ≤ 59.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-bromo-5-[4-(4-pyridin-4-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]phenyl]quinoline with MolForge

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Related Compounds

5-(3-Bromo-phenyl)-7-[6-(methyl-pyridin-3-ylmethyl-amino)-pyridin-3-yl]-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44305631
2-(2-bromophenyl)-N-[(4-pyridin-3-ylphenyl)methyl]quinazolin-4-amine
CID 60167912
2-N-benzyl-6-(8-methylquinolin-5-yl)-1,3,5-triazine-2,4-diamine
CID 29185101
6-Phenyl-1,3,7-triazapyrene
CID 24827850
6-(3,4-Dimethylphenyl)-1,3,7-triazapyrene
CID 129877064
2,6-Diphenyl-1,3,7-triazapyrene
CID 101839274
4-[6-[3-[2-(4-Aminophenyl)benzo[h]quinazolin-6-yl]phenyl]benzo[h]quinazolin-2-yl]aniline
CID 389831
8-(4-(4,6-Di(naphthalen-2-yl)-1,3,5-triazin-2-yl)phenyl)quinoline
CID 58322556
4-Bromo-1-[2-(2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,6-naphthyridine
CID 68621298
8-[6-(4,6-Diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-6-pyridin-2-ylquinoline
CID 134271794
8-[3-[6-(4,6-Diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-3-yl]-5-quinolin-8-ylphenyl]quinoline
CID 134271803
8-[3-[7-(4,6-Diphenyl-1,3,5-triazin-2-yl)-9,9-difluorofluoren-2-yl]-5-quinolin-8-ylphenyl]quinoline
CID 134271906

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-5-[4-(4-pyridin-4-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]phenyl]quinoline?
The IUPAC name of 5-[3-bromo-5-[4-(4-pyridin-4-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]phenyl]quinoline (CID 155195950) is 5-[3-bromo-5-[4-(4-pyridin-4-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]phenyl]quinoline.
What is the SMILES notation for 5-[3-bromo-5-[4-(4-pyridin-4-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]phenyl]quinoline?
The canonical SMILES for 5-[3-bromo-5-[4-(4-pyridin-4-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]phenyl]quinoline is Brc1cc(-c2nc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc4ncccc4c3)n2)cc(-c2cccc3ncccc23)c1.
What is the InChIKey of 5-[3-bromo-5-[4-(4-pyridin-4-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]phenyl]quinoline?
The InChIKey is IJQXWIACUZESAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23BrN6/c39-31-22-29(32-5-1-7-35-33(32)6-3-17-42-35)21-30(23-31)38-44-36(26-10-8-24(9-11-26)25-14-18-40-19-15-25)43-37(45-38)28-12-13-34-27(20-28)4-2-16-41-34/h1-23H.
What are the key properties of 5-[3-bromo-5-[4-(4-pyridin-4-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]phenyl]quinoline?
5-[3-bromo-5-[4-(4-pyridin-4-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]phenyl]quinoline has a molecular weight of 643.55 g/mol, XLogP of 9.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-5-[4-(4-pyridin-4-ylphenyl)-6-quinolin-6-yl-1,3,5-triazin-2-yl]phenyl]quinoline is sourced from PubChem (CID 155195950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).