2-(4-bromophenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine

C29H18BrN3 — CID 166009866

IUPAC2-(4-bromophenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
SMILESBrc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4ccccc34)n2)cc1
InChIInChI=1S/C29H18BrN3/c30-22-16-14-20(15-17-22)28-31-27(19-8-2-1-3-9-19)32-29(33-28)26-18-21-10-4-5-11-23(21)24-12-6-7-13-25(24)26/h1-18H
InChIKeyCJAXIHMRLYPOPB-UHFFFAOYSA-N
MW488.39 g/mol
LogP7.94
Rot. Bonds3

About 2-(4-bromophenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine

2-(4-bromophenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine (PubChem CID 166009866) has the molecular formula C29H18BrN3 and a molecular weight of 488.39 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
PubChem CID166009866
Molecular FormulaC29H18BrN3
Molecular Weight488.39 g/mol
Exact Mass487.07
IUPAC Name2-(4-bromophenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
SMILESBrc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4ccccc34)n2)cc1
InChIInChI=1S/C29H18BrN3/c30-22-16-14-20(15-17-22)28-31-27(19-8-2-1-3-9-19)32-29(33-28)26-18-21-10-4-5-11-23(21)24-12-6-7-13-25(24)26/h1-18H
InChIKeyCJAXIHMRLYPOPB-UHFFFAOYSA-N
XLogP7.94
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.39
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromonaphthalen-1-yl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 165029034
2-(4-phenanthren-9-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 129150845
2-phenanthren-9-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 164950287
2-phenanthren-9-yl-4-(5-phenylnaphthalen-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164969936
2-chloro-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 123546565
2-(3-phenanthren-9-yl-4-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 175324946
2-(4-bromophenyl)-5-phenanthren-9-yl-3,4-diphenylthiophene
CID 166509046
2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 126701419
2-naphthalen-2-yl-4-(3-phenanthren-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 165044168
2-phenanthren-9-yl-4-[4-(9-phenylfluoren-9-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 164949544
2-(4-bromophenyl)-4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 142724155
2,4-diphenyl-6-[3-(4-triphenylen-2-ylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 129099661

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(4-bromophenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine (CID 166009866) is 2-(4-bromophenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-bromophenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-bromophenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine is Brc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4ccccc4c4ccccc34)n2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?
The InChIKey is CJAXIHMRLYPOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18BrN3/c30-22-16-14-20(15-17-22)28-31-27(19-8-2-1-3-9-19)32-29(33-28)26-18-21-10-4-5-11-23(21)24-12-6-7-13-25(24)26/h1-18H.
What are the key properties of 2-(4-bromophenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine?
2-(4-bromophenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine has a molecular weight of 488.39 g/mol, XLogP of 7.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 166009866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).