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

C37H22ClN3O — CID 168845152

IUPAC2-chloro-4-dibenzofuran-2-yl-6-[3-(5-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
SMILESClc1nc(-c2cccc(-c3ccc4c(-c5ccccc5)cccc4c3)c2)nc(-c2ccc3oc4ccccc4c3c2)n1
InChIInChI=1S/C37H22ClN3O/c38-37-40-35(39-36(41-37)28-17-19-34-32(22-28)31-13-4-5-15-33(31)42-34)27-12-6-10-24(21-27)25-16-18-30-26(20-25)11-7-14-29(30)23-8-2-1-3-9-23/h1-22H
InChIKeyGVQCHCFRMBBZNP-UHFFFAOYSA-N
MW560.06 g/mol
LogP10.25
Rot. Bonds4

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

2-chloro-4-dibenzofuran-2-yl-6-[3-(5-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine (PubChem CID 168845152) has the molecular formula C37H22ClN3O and a molecular weight of 560.06 g/mol. Its IUPAC name is 2-chloro-4-dibenzofuran-2-yl-6-[3-(5-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-dibenzofuran-2-yl-6-[3-(5-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
PubChem CID168845152
Molecular FormulaC37H22ClN3O
Molecular Weight560.06 g/mol
Exact Mass559.15
IUPAC Name2-chloro-4-dibenzofuran-2-yl-6-[3-(5-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
SMILESClc1nc(-c2cccc(-c3ccc4c(-c5ccccc5)cccc4c3)c2)nc(-c2ccc3oc4ccccc4c3c2)n1
InChIInChI=1S/C37H22ClN3O/c38-37-40-35(39-36(41-37)28-17-19-34-32(22-28)31-13-4-5-15-33(31)42-34)27-12-6-10-24(21-27)25-16-18-30-26(20-25)11-7-14-29(30)23-8-2-1-3-9-23/h1-22H
InChIKeyGVQCHCFRMBBZNP-UHFFFAOYSA-N
XLogP10.25
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.06
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 171439501
2-(3-dibenzofuran-2-yl-5-dibenzofuran-3-ylphenyl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 164822821
2-chloro-4-dibenzofuran-4-yl-6-[3-(8-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845014
2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 170305773
2-[4-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942583
2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 171445503
2-chloro-4-(9-phenyldibenzofuran-2-yl)-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845082
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 170210787
2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine
CID 155758027
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-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845166
2-(6-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-phenylnaphthalen-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine
CID 176632723

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-dibenzofuran-2-yl-6-[3-(5-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-dibenzofuran-2-yl-6-[3-(5-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine (CID 168845152) is 2-chloro-4-dibenzofuran-2-yl-6-[3-(5-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-dibenzofuran-2-yl-6-[3-(5-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-dibenzofuran-2-yl-6-[3-(5-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine is Clc1nc(-c2cccc(-c3ccc4c(-c5ccccc5)cccc4c3)c2)nc(-c2ccc3oc4ccccc4c3c2)n1.
What is the InChIKey of 2-chloro-4-dibenzofuran-2-yl-6-[3-(5-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The InChIKey is GVQCHCFRMBBZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22ClN3O/c38-37-40-35(39-36(41-37)28-17-19-34-32(22-28)31-13-4-5-15-33(31)42-34)27-12-6-10-24(21-27)25-16-18-30-26(20-25)11-7-14-29(30)23-8-2-1-3-9-23/h1-22H.
What are the key properties of 2-chloro-4-dibenzofuran-2-yl-6-[3-(5-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
2-chloro-4-dibenzofuran-2-yl-6-[3-(5-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine has a molecular weight of 560.06 g/mol, XLogP of 10.25, 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-2-yl-6-[3-(5-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 168845152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).