2-chloro-4-dibenzofuran-4-yl-6-[3-(8-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine

C37H22ClN3O — CID 168845014

IUPAC2-chloro-4-dibenzofuran-4-yl-6-[3-(8-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
SMILESClc1nc(-c2cccc(-c3ccc4cccc(-c5ccccc5)c4c3)c2)nc(-c2cccc3c2oc2ccccc23)n1
InChIInChI=1S/C37H22ClN3O/c38-37-40-35(39-36(41-37)31-17-8-16-30-29-14-4-5-18-33(29)42-34(30)31)27-13-6-12-25(21-27)26-20-19-24-11-7-15-28(32(24)22-26)23-9-2-1-3-10-23/h1-22H
InChIKeyNEEONZHOMMIDMW-UHFFFAOYSA-N
MW560.06 g/mol
LogP10.25
Rot. Bonds4

About 2-chloro-4-dibenzofuran-4-yl-6-[3-(8-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine

2-chloro-4-dibenzofuran-4-yl-6-[3-(8-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine (PubChem CID 168845014) has the molecular formula C37H22ClN3O and a molecular weight of 560.06 g/mol. Its IUPAC name is 2-chloro-4-dibenzofuran-4-yl-6-[3-(8-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-dibenzofuran-4-yl-6-[3-(8-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
PubChem CID168845014
Molecular FormulaC37H22ClN3O
Molecular Weight560.06 g/mol
Exact Mass559.15
IUPAC Name2-chloro-4-dibenzofuran-4-yl-6-[3-(8-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
SMILESClc1nc(-c2cccc(-c3ccc4cccc(-c5ccccc5)c4c3)c2)nc(-c2cccc3c2oc2ccccc23)n1
InChIInChI=1S/C37H22ClN3O/c38-37-40-35(39-36(41-37)31-17-8-16-30-29-14-4-5-18-33(29)42-34(30)31)27-13-6-12-25(21-27)26-20-19-24-11-7-15-28(32(24)22-26)23-9-2-1-3-10-23/h1-22H
InChIKeyNEEONZHOMMIDMW-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-dibenzofuran-4-yl-4-(4-phenylnaphthalen-1-yl)-6-[7-(3-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 155480735
2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine
CID 155758027
2-chloro-4-dibenzofuran-4-yl-6-[3-(4-methylphenyl)phenyl]-1,3,5-triazine
CID 169278916
2-chloro-4-dibenzofuran-4-yl-6-[3-(4-fluorophenyl)phenyl]-1,3,5-triazine
CID 169278824
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155481433
2-chloro-4-dibenzofuran-2-yl-6-[3-(5-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845152
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylphenyl)-6-[7-(4-phenylphenyl)naphthalen-1-yl]-1,3,5-triazine
CID 139442199
2-dibenzofuran-4-yl-4-(3-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 155481453
2-chloro-4-(5-phenylnaphthalen-1-yl)-6-[8-(4-phenylphenyl)naphthalen-2-yl]-1,3,5-triazine
CID 177278821
2-dibenzofuran-4-yl-4-[3-(5-naphthalen-1-ylnaphthalen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 168845004
2-dibenzofuran-4-yl-4-[2-(6-naphthalen-2-ylphenanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 171732313

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-dibenzofuran-4-yl-6-[3-(8-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-dibenzofuran-4-yl-6-[3-(8-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine (CID 168845014) is 2-chloro-4-dibenzofuran-4-yl-6-[3-(8-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-dibenzofuran-4-yl-6-[3-(8-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-dibenzofuran-4-yl-6-[3-(8-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine is Clc1nc(-c2cccc(-c3ccc4cccc(-c5ccccc5)c4c3)c2)nc(-c2cccc3c2oc2ccccc23)n1.
What is the InChIKey of 2-chloro-4-dibenzofuran-4-yl-6-[3-(8-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The InChIKey is NEEONZHOMMIDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22ClN3O/c38-37-40-35(39-36(41-37)31-17-8-16-30-29-14-4-5-18-33(29)42-34(30)31)27-13-6-12-25(21-27)26-20-19-24-11-7-15-28(32(24)22-26)23-9-2-1-3-10-23/h1-22H.
What are the key properties of 2-chloro-4-dibenzofuran-4-yl-6-[3-(8-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
2-chloro-4-dibenzofuran-4-yl-6-[3-(8-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-4-yl-6-[3-(8-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 168845014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).