2-(4-chloro-3-phenylphenyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine

C33H20ClN3O — CID 155451259

IUPAC2-(4-chloro-3-phenylphenyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1-c1ccccc1
InChIInChI=1S/C33H20ClN3O/c34-28-18-16-23(19-27(28)21-9-3-1-4-10-21)32-35-31(22-11-5-2-6-12-22)36-33(37-32)24-15-17-26-25-13-7-8-14-29(25)38-30(26)20-24/h1-20H
InChIKeyKANATJUSCHOJBZ-UHFFFAOYSA-N
MW510.00 g/mol
LogP9.09
Rot. Bonds4

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

2-(4-chloro-3-phenylphenyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine (PubChem CID 155451259) has the molecular formula C33H20ClN3O and a molecular weight of 510.00 g/mol. Its IUPAC name is 2-(4-chloro-3-phenylphenyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-chloro-3-phenylphenyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine
PubChem CID155451259
Molecular FormulaC33H20ClN3O
Molecular Weight510.00 g/mol
Exact Mass509.13
IUPAC Name2-(4-chloro-3-phenylphenyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1-c1ccccc1
InChIInChI=1S/C33H20ClN3O/c34-28-18-16-23(19-27(28)21-9-3-1-4-10-21)32-35-31(22-11-5-2-6-12-22)36-33(37-32)24-15-17-26-25-13-7-8-14-29(25)38-30(26)20-24/h1-20H
InChIKeyKANATJUSCHOJBZ-UHFFFAOYSA-N
XLogP9.09
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.00
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 166741775
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899
2-dibenzofuran-3-yl-4-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 138729900
2-(7-dibenzofuran-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147277372
2-dibenzofuran-3-yl-4-phenyl-6-[4-(3,4,5-triphenylphenyl)phenyl]-1,3,5-triazine
CID 138691594
2-dibenzofuran-3-yl-4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 174259532
2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane
CID 142555495
2-dibenzofuran-3-yl-4-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 138625830
2-(5-dibenzofuran-2-yl-2-dibenzofuran-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402344
2-[4-[3,5-di(dibenzofuran-3-yl)phenyl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942380
2-dibenzofuran-3-yl-4-phenyl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
CID 138691606
2-chloro-4-dibenzofuran-3-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
CID 138691591

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-phenylphenyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(4-chloro-3-phenylphenyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine (CID 155451259) is 2-(4-chloro-3-phenylphenyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-chloro-3-phenylphenyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-chloro-3-phenylphenyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine is Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1-c1ccccc1.
What is the InChIKey of 2-(4-chloro-3-phenylphenyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine?
The InChIKey is KANATJUSCHOJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20ClN3O/c34-28-18-16-23(19-27(28)21-9-3-1-4-10-21)32-35-31(22-11-5-2-6-12-22)36-33(37-32)24-15-17-26-25-13-7-8-14-29(25)38-30(26)20-24/h1-20H.
What are the key properties of 2-(4-chloro-3-phenylphenyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine?
2-(4-chloro-3-phenylphenyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine has a molecular weight of 510.00 g/mol, XLogP of 9.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-phenylphenyl)-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 155451259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).