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

C31H18ClN3O — CID 171439501

IUPAC2-chloro-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
SMILESClc1nc(-c2ccc(-c3cccc4ccccc34)cc2)nc(-c2ccc3oc4ccccc4c3c2)n1
InChIInChI=1S/C31H18ClN3O/c32-31-34-29(21-14-12-20(13-15-21)24-10-5-7-19-6-1-2-8-23(19)24)33-30(35-31)22-16-17-28-26(18-22)25-9-3-4-11-27(25)36-28/h1-18H
InChIKeyCWBLZSSRIKWVFD-UHFFFAOYSA-N
MW483.96 g/mol
LogP8.58
Rot. Bonds3

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

2-chloro-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine (PubChem CID 171439501) has the molecular formula C31H18ClN3O and a molecular weight of 483.96 g/mol. Its IUPAC name is 2-chloro-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
PubChem CID171439501
Molecular FormulaC31H18ClN3O
Molecular Weight483.96 g/mol
Exact Mass483.11
IUPAC Name2-chloro-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
SMILESClc1nc(-c2ccc(-c3cccc4ccccc34)cc2)nc(-c2ccc3oc4ccccc4c3c2)n1
InChIInChI=1S/C31H18ClN3O/c32-31-34-29(21-14-12-20(13-15-21)24-10-5-7-19-6-1-2-8-23(19)24)33-30(35-31)22-16-17-28-26(18-22)25-9-3-4-11-27(25)36-28/h1-18H
InChIKeyCWBLZSSRIKWVFD-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-2-yl-6-[3-(5-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845152
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 139304343
2-chloro-4-dibenzofuran-2-yl-6-dibenzofuran-4-yl-1,3,5-triazine
CID 155758027
2-(4-naphthalen-1-ylphenyl)-4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazine
CID 163416881
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
2,4-dichloro-6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 168908527
2-dibenzofuran-3-yl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163496167
2-[4-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]phenyl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 164942583
2-chloro-4-(6-naphthalen-1-ylnaphthalen-2-yl)-6-[4-(2-phenylphenyl)phenyl]-1,3,5-triazine
CID 177076801
2-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942624
2-naphthalen-1-yl-4-phenyl-6-(8-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 176616943

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine (CID 171439501) is 2-chloro-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine is Clc1nc(-c2ccc(-c3cccc4ccccc34)cc2)nc(-c2ccc3oc4ccccc4c3c2)n1.
What is the InChIKey of 2-chloro-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?
The InChIKey is CWBLZSSRIKWVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18ClN3O/c32-31-34-29(21-14-12-20(13-15-21)24-10-5-7-19-6-1-2-8-23(19)24)33-30(35-31)22-16-17-28-26(18-22)25-9-3-4-11-27(25)36-28/h1-18H.
What are the key properties of 2-chloro-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?
2-chloro-4-dibenzofuran-2-yl-6-(4-naphthalen-1-ylphenyl)-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-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 171439501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).