2-[4-(7-bromo-8-methyldibenzo-p-dioxin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

C34H22BrN3O2 — CID 146666293

IUPAC2-[4-(7-bromo-8-methyldibenzo-p-dioxin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1cc2c(cc1Br)Oc1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc1O2
InChIInChI=1S/C34H22BrN3O2/c1-21-18-29-31(20-27(21)35)39-28-17-16-26(19-30(28)40-29)22-12-14-25(15-13-22)34-37-32(23-8-4-2-5-9-23)36-33(38-34)24-10-6-3-7-11-24/h2-20H,1H3
InChIKeyRKKZLFKEAVHAAI-UHFFFAOYSA-N
MW584.47 g/mol
LogP9.51
Rot. Bonds4

About 2-[4-(7-bromo-8-methyldibenzo-p-dioxin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

2-[4-(7-bromo-8-methyldibenzo-p-dioxin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 146666293) has the molecular formula C34H22BrN3O2 and a molecular weight of 584.47 g/mol. Its IUPAC name is 2-[4-(7-bromo-8-methyldibenzo-p-dioxin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(7-bromo-8-methyldibenzo-p-dioxin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID146666293
Molecular FormulaC34H22BrN3O2
Molecular Weight584.47 g/mol
Exact Mass583.09
IUPAC Name2-[4-(7-bromo-8-methyldibenzo-p-dioxin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESCc1cc2c(cc1Br)Oc1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc1O2
InChIInChI=1S/C34H22BrN3O2/c1-21-18-29-31(20-27(21)35)39-28-17-16-26(19-30(28)40-29)22-12-14-25(15-13-22)34-37-32(23-8-4-2-5-9-23)36-33(38-34)24-10-6-3-7-11-24/h2-20H,1H3
InChIKeyRKKZLFKEAVHAAI-UHFFFAOYSA-N
XLogP9.51
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.47
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(7-bromo-8-methyldibenzo-p-dioxin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;methanamine;2-phenyldibenzo-p-dioxin
CID 144875802
2-(4-bromophenyl)dibenzo-p-dioxin
CID 126629841
2,4-bis[4-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 166571194
2-[4-(10,10-diphenyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-17-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 138573974
2-[4-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90135790
2-(4-methylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 129023213
2-[4-[4-(3-bromophenyl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139511345
2-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaen-18-yl)-4,6-diphenyl-1,3,5-triazine
CID 138573631
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-2-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138575887
2-[4-(8,8-dimethylindeno[1,2-a]oxanthren-3-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 138575760
2,4-diphenyl-6-[3-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 162203388
2,4-bis(3-phenylphenyl)-6-[3-[3-[3-[3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-[3-[3-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158062871

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-bromo-8-methyldibenzo-p-dioxin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-(7-bromo-8-methyldibenzo-p-dioxin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine (CID 146666293) is 2-[4-(7-bromo-8-methyldibenzo-p-dioxin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(7-bromo-8-methyldibenzo-p-dioxin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-(7-bromo-8-methyldibenzo-p-dioxin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is Cc1cc2c(cc1Br)Oc1ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)cc1O2.
What is the InChIKey of 2-[4-(7-bromo-8-methyldibenzo-p-dioxin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is RKKZLFKEAVHAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22BrN3O2/c1-21-18-29-31(20-27(21)35)39-28-17-16-26(19-30(28)40-29)22-12-14-25(15-13-22)34-37-32(23-8-4-2-5-9-23)36-33(38-34)24-10-6-3-7-11-24/h2-20H,1H3.
What are the key properties of 2-[4-(7-bromo-8-methyldibenzo-p-dioxin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-(7-bromo-8-methyldibenzo-p-dioxin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 584.47 g/mol, XLogP of 9.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-bromo-8-methyldibenzo-p-dioxin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 146666293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).