2-[4-(10-bromoanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine

C33H20BrN5 — CID 102088202

IUPAC2-[4-(10-bromoanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESBrc1c2ccccc2c(-c2ccc(-c3nc(-c4ccccn4)nc(-c4ccccn4)n3)cc2)c2ccccc12
InChIInChI=1S/C33H20BrN5/c34-30-25-11-3-1-9-23(25)29(24-10-2-4-12-26(24)30)21-15-17-22(18-16-21)31-37-32(27-13-5-7-19-35-27)39-33(38-31)28-14-6-8-20-36-28/h1-20H
InChIKeyUBMCQBOHOLINCO-UHFFFAOYSA-N
MW566.46 g/mol
LogP8.40
Rot. Bonds4

About 2-[4-(10-bromoanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine

2-[4-(10-bromoanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine (PubChem CID 102088202) has the molecular formula C33H20BrN5 and a molecular weight of 566.46 g/mol. Its IUPAC name is 2-[4-(10-bromoanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(10-bromoanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine
PubChem CID102088202
Molecular FormulaC33H20BrN5
Molecular Weight566.46 g/mol
Exact Mass565.09
IUPAC Name2-[4-(10-bromoanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine
SMILESBrc1c2ccccc2c(-c2ccc(-c3nc(-c4ccccn4)nc(-c4ccccn4)n3)cc2)c2ccccc12
InChIInChI=1S/C33H20BrN5/c34-30-25-11-3-1-9-23(25)29(24-10-2-4-12-26(24)30)21-15-17-22(18-16-21)31-37-32(27-13-5-7-19-35-27)39-33(38-31)28-14-6-8-20-36-28/h1-20H
InChIKeyUBMCQBOHOLINCO-UHFFFAOYSA-N
XLogP8.40
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.46
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-Bromophenyl)-4-phenyl-1,8-naphthyridine
CID 17759400
2-(4-Bromophenyl)-4,6-dipyridin-2-yl-1,3,5-triazine
CID 86070442
8-(4-(4,6-Di(naphthalen-2-yl)-1,3,5-triazin-2-yl)phenyl)quinoline
CID 58322556
2,4-Bis(4-fluoro-2-pyridinyl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 59273788
4,6-Diphenyl-2-[5-(9-phenanthryl)-3-(3-pyridyl)phenyl]-1,3,5-triazine
CID 86669952
4-[4-[4-[4-[(1Z)-1-[(4Z)-4-[(Z)-but-2-enylidene]-2-methyl-3-methylidenecyclohexa-1,5-dien-1-yl]buta-1,3-dienyl]-2-fluorophenyl]-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-3-fluorophenyl]-10-methyl-10aH-1,10-phenanthroline
CID 137484447
6-Bromo-2-(3-bromophenyl)-4-phenyl-1,8-naphthyridine
CID 17759399
2-(2,3,4-Tripyridin-2-ylnaphthalen-1-yl)pyrimidine
CID 138982227
2-(3,4-Dipyridin-2-ylnaphthalen-2-yl)pyrimidine
CID 138982228
2-[2,3,4-Tris(4-methyl-2-pyridinyl)naphthalen-1-yl]pyrimidine
CID 138982232
2-[3,4-Bis(4-methyl-2-pyridinyl)naphthalen-2-yl]pyrimidine
CID 138982234
2-[3-(4-Methyl-2-pyridinyl)-4-(5-methyl-2-pyridinyl)naphthalen-2-yl]pyrimidine
CID 138982236

Frequently Asked Questions

What is the IUPAC name of 2-[4-(10-bromoanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine?
The IUPAC name of 2-[4-(10-bromoanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine (CID 102088202) is 2-[4-(10-bromoanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(10-bromoanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine?
The canonical SMILES for 2-[4-(10-bromoanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine is Brc1c2ccccc2c(-c2ccc(-c3nc(-c4ccccn4)nc(-c4ccccn4)n3)cc2)c2ccccc12.
What is the InChIKey of 2-[4-(10-bromoanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine?
The InChIKey is UBMCQBOHOLINCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20BrN5/c34-30-25-11-3-1-9-23(25)29(24-10-2-4-12-26(24)30)21-15-17-22(18-16-21)31-37-32(27-13-5-7-19-35-27)39-33(38-31)28-14-6-8-20-36-28/h1-20H.
What are the key properties of 2-[4-(10-bromoanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine?
2-[4-(10-bromoanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine has a molecular weight of 566.46 g/mol, XLogP of 8.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(10-bromoanthracen-9-yl)phenyl]-4,6-dipyridin-2-yl-1,3,5-triazine is sourced from PubChem (CID 102088202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).