2-chloro-4-dibenzofuran-4-yl-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine

C28H18ClN3O — CID 169278916

IUPAC2-chloro-4-dibenzofuran-4-yl-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine
SMILESCc1ccc(-c2cccc(-c3nc(Cl)nc(-c4cccc5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C28H18ClN3O/c1-17-12-14-18(15-13-17)19-6-4-7-20(16-19)26-30-27(32-28(29)31-26)23-10-5-9-22-21-8-2-3-11-24(21)33-25(22)23/h2-16H,1H3
InChIKeyXMFAIMRNJVDNTP-UHFFFAOYSA-N
MW447.93 g/mol
LogP7.73
Rot. Bonds3

About 2-chloro-4-dibenzofuran-4-yl-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine

2-chloro-4-dibenzofuran-4-yl-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine (PubChem CID 169278916) has the molecular formula C28H18ClN3O and a molecular weight of 447.93 g/mol. Its IUPAC name is 2-chloro-4-dibenzofuran-4-yl-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-dibenzofuran-4-yl-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine
PubChem CID169278916
Molecular FormulaC28H18ClN3O
Molecular Weight447.93 g/mol
Exact Mass447.11
IUPAC Name2-chloro-4-dibenzofuran-4-yl-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine
SMILESCc1ccc(-c2cccc(-c3nc(Cl)nc(-c4cccc5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/C28H18ClN3O/c1-17-12-14-18(15-13-17)19-6-4-7-20(16-19)26-30-27(32-28(29)31-26)23-10-5-9-22-21-8-2-3-11-24(21)33-25(22)23/h2-16H,1H3
InChIKeyXMFAIMRNJVDNTP-UHFFFAOYSA-N
XLogP7.73
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.93
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-dibenzofuran-4-yl-6-[3-(4-fluorophenyl)phenyl]-1,3,5-triazine
CID 169278824
2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine
CID 155758027
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-chloro-4-dibenzofuran-4-yl-6-[3-(8-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845014
2-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 164723679
2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850178
2-(4-dibenzofuran-3-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-(4-dibenzofuran-4-ylphenyl)-4-(2-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 167548643
2-dibenzofuran-4-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160184
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 170186979
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155481433
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-dibenzofuran-4-yl-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-dibenzofuran-4-yl-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine (CID 169278916) is 2-chloro-4-dibenzofuran-4-yl-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-dibenzofuran-4-yl-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-dibenzofuran-4-yl-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine is Cc1ccc(-c2cccc(-c3nc(Cl)nc(-c4cccc5c4oc4ccccc45)n3)c2)cc1.
What is the InChIKey of 2-chloro-4-dibenzofuran-4-yl-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is XMFAIMRNJVDNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18ClN3O/c1-17-12-14-18(15-13-17)19-6-4-7-20(16-19)26-30-27(32-28(29)31-26)23-10-5-9-22-21-8-2-3-11-24(21)33-25(22)23/h2-16H,1H3.
What are the key properties of 2-chloro-4-dibenzofuran-4-yl-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine?
2-chloro-4-dibenzofuran-4-yl-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 447.93 g/mol, XLogP of 7.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-dibenzofuran-4-yl-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 169278916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).