2-(10-bromophenanthren-9-yl)-4,6-diphenyl-1,3,5-triazine

C29H18BrN3 — CID 129099164

IUPAC2-(10-bromophenanthren-9-yl)-4,6-diphenyl-1,3,5-triazine
SMILESBrc1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc2c2ccccc12
InChIInChI=1S/C29H18BrN3/c30-26-24-18-10-8-16-22(24)21-15-7-9-17-23(21)25(26)29-32-27(19-11-3-1-4-12-19)31-28(33-29)20-13-5-2-6-14-20/h1-18H
InChIKeyUKSDGROTIOGRBP-UHFFFAOYSA-N
MW488.39 g/mol
LogP7.94
Rot. Bonds3

About 2-(10-bromophenanthren-9-yl)-4,6-diphenyl-1,3,5-triazine

2-(10-bromophenanthren-9-yl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 129099164) has the molecular formula C29H18BrN3 and a molecular weight of 488.39 g/mol. Its IUPAC name is 2-(10-bromophenanthren-9-yl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(10-bromophenanthren-9-yl)-4,6-diphenyl-1,3,5-triazine
PubChem CID129099164
Molecular FormulaC29H18BrN3
Molecular Weight488.39 g/mol
Exact Mass487.07
IUPAC Name2-(10-bromophenanthren-9-yl)-4,6-diphenyl-1,3,5-triazine
SMILESBrc1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc2c2ccccc12
InChIInChI=1S/C29H18BrN3/c30-26-24-18-10-8-16-22(24)21-15-7-9-17-23(21)25(26)29-32-27(19-11-3-1-4-12-19)31-28(33-29)20-13-5-2-6-14-20/h1-18H
InChIKeyUKSDGROTIOGRBP-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-(9-bromo-10-phenylphenanthren-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 162392902
2,4-diphenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine
CID 58454367
9,10-dibromophenanthrene;2,4-diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine;2-[4-[10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenanthren-9-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160800923
2-phenyl-4-(4-phenylphenyl)-6-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]-1,3,5-triazine
CID 153302047
2,4-diphenyl-6-[10-(9-phenylphenanthren-3-yl)anthracen-9-yl]-1,3,5-triazine
CID 126667576
2-bromo-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139271713
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-triphenylen-2-yl-1,3,5-triazine
CID 139521301
2,4-diphenyl-6-(4-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 118231237
2-(4-bromophenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166009866
2-(2-methylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 166656403
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylbenzo[a]tetracen-13-yl]-4,6-diphenyl-1,3,5-triazine
CID 89177922
2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90361453

Frequently Asked Questions

What is the IUPAC name of 2-(10-bromophenanthren-9-yl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(10-bromophenanthren-9-yl)-4,6-diphenyl-1,3,5-triazine (CID 129099164) is 2-(10-bromophenanthren-9-yl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(10-bromophenanthren-9-yl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(10-bromophenanthren-9-yl)-4,6-diphenyl-1,3,5-triazine is Brc1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c2ccccc2c2ccccc12.
What is the InChIKey of 2-(10-bromophenanthren-9-yl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is UKSDGROTIOGRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18BrN3/c30-26-24-18-10-8-16-22(24)21-15-7-9-17-23(21)25(26)29-32-27(19-11-3-1-4-12-19)31-28(33-29)20-13-5-2-6-14-20/h1-18H.
What are the key properties of 2-(10-bromophenanthren-9-yl)-4,6-diphenyl-1,3,5-triazine?
2-(10-bromophenanthren-9-yl)-4,6-diphenyl-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-(10-bromophenanthren-9-yl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 129099164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).