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

C33H20ClN3O — CID 139330600

IUPAC2-chloro-4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazine
SMILESClc1nc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)nc(-c2ccc3c(c2)oc2ccccc23)n1
InChIInChI=1S/C33H20ClN3O/c34-33-36-31(23-15-16-28-27-13-7-8-14-29(27)38-30(28)20-23)35-32(37-33)26-18-24(21-9-3-1-4-10-21)17-25(19-26)22-11-5-2-6-12-22/h1-20H
InChIKeyFXRWJPQJWJMVEM-UHFFFAOYSA-N
MW510.00 g/mol
LogP9.09
Rot. Bonds4

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

2-chloro-4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazine (PubChem CID 139330600) has the molecular formula C33H20ClN3O and a molecular weight of 510.00 g/mol. Its IUPAC name is 2-chloro-4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazine
PubChem CID139330600
Molecular FormulaC33H20ClN3O
Molecular Weight510.00 g/mol
Exact Mass509.13
IUPAC Name2-chloro-4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazine
SMILESClc1nc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)nc(-c2ccc3c(c2)oc2ccccc23)n1
InChIInChI=1S/C33H20ClN3O/c34-33-36-31(23-15-16-28-27-13-7-8-14-29(27)38-30(28)20-23)35-32(37-33)26-18-24(21-9-3-1-4-10-21)17-25(19-26)22-11-5-2-6-12-22/h1-20H
InChIKeyFXRWJPQJWJMVEM-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-chloro-4-dibenzofuran-3-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845021
2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane
CID 142555495
2-[3-dibenzofuran-3-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 139442386
2-(4-dibenzofuran-3-ylphenyl)-4-[3-(3,5-diphenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850214
2-dibenzofuran-3-yl-4-(3-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850239
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-chloro-4-phenyl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 139384244
2-dibenzofuran-3-yl-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
CID 154934269
2-(4-dibenzofuran-3-ylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425264
2-dibenzofuran-3-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850143
2-dibenzofuran-3-yl-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 138625817

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazine (CID 139330600) is 2-chloro-4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazine is Clc1nc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)nc(-c2ccc3c(c2)oc2ccccc23)n1.
What is the InChIKey of 2-chloro-4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazine?
The InChIKey is FXRWJPQJWJMVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20ClN3O/c34-33-36-31(23-15-16-28-27-13-7-8-14-29(27)38-30(28)20-23)35-32(37-33)26-18-24(21-9-3-1-4-10-21)17-25(19-26)22-11-5-2-6-12-22/h1-20H.
What are the key properties of 2-chloro-4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazine?
2-chloro-4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-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-chloro-4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 139330600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).