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

C31H18ClN3O — CID 177278886

IUPAC2-chloro-4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESClc1nc(-c2ccc(-c3ccccc3)c3ccccc23)nc(-c2cccc3oc4ccccc4c23)n1
InChIInChI=1S/C31H18ClN3O/c32-31-34-29(23-18-17-20(19-9-2-1-3-10-19)21-11-4-5-12-22(21)23)33-30(35-31)25-14-8-16-27-28(25)24-13-6-7-15-26(24)36-27/h1-18H
InChIKeyANSHXNVLEQLMOQ-UHFFFAOYSA-N
MW483.96 g/mol
LogP8.58
Rot. Bonds3

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

2-chloro-4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine (PubChem CID 177278886) has the molecular formula C31H18ClN3O and a molecular weight of 483.96 g/mol. Its IUPAC name is 2-chloro-4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
PubChem CID177278886
Molecular FormulaC31H18ClN3O
Molecular Weight483.96 g/mol
Exact Mass483.11
IUPAC Name2-chloro-4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
SMILESClc1nc(-c2ccc(-c3ccccc3)c3ccccc23)nc(-c2cccc3oc4ccccc4c23)n1
InChIInChI=1S/C31H18ClN3O/c32-31-34-29(23-18-17-20(19-9-2-1-3-10-19)21-11-4-5-12-22(21)23)33-30(35-31)25-14-8-16-27-28(25)24-13-6-7-15-26(24)36-27/h1-18H
InChIKeyANSHXNVLEQLMOQ-UHFFFAOYSA-N
XLogP8.58
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.96
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-dibenzofuran-1-yl-6-triphenylen-1-yl-1,3,5-triazine
CID 171812786
2-dibenzofuran-1-yl-4-(1-phenyldibenzofuran-3-yl)-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 177112653
2-dibenzofuran-1-yl-4-phenyl-6-[5-(9-phenyldibenzofuran-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 168731902
2-chloro-4-dibenzofuran-1-yl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 168908626
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-chloro-4-phenyl-6-(9-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 155096858
2-(3-chlorophenyl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 135124545
2-dibenzofuran-1-yl-4-phenyl-6-[9-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741540
2-[4-[4-(4-dibenzofuran-1-ylphenyl)naphthalen-1-yl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942372
2-[4-(8-chlorodibenzofuran-1-yl)naphthalen-1-yl]-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 166743487
2-dibenzofuran-1-yl-4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 169053839
2-chloro-4-phenyl-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 148797499

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine (CID 177278886) is 2-chloro-4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine is Clc1nc(-c2ccc(-c3ccccc3)c3ccccc23)nc(-c2cccc3oc4ccccc4c23)n1.
What is the InChIKey of 2-chloro-4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
The InChIKey is ANSHXNVLEQLMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18ClN3O/c32-31-34-29(23-18-17-20(19-9-2-1-3-10-19)21-11-4-5-12-22(21)23)33-30(35-31)25-14-8-16-27-28(25)24-13-6-7-15-26(24)36-27/h1-18H.
What are the key properties of 2-chloro-4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine?
2-chloro-4-dibenzofuran-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine has a molecular weight of 483.96 g/mol, XLogP of 8.58, 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-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine is sourced from PubChem (CID 177278886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).