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

C41H24ClN3O — CID 155430748

IUPAC2-(4-chloro-2-dibenzofuran-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c(-c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C41H24ClN3O/c42-32-18-20-35(36(24-32)29-17-19-34-33-11-5-6-12-37(33)46-38(34)23-29)41-44-39(30-15-13-25-7-1-3-9-27(25)21-30)43-40(45-41)31-16-14-26-8-2-4-10-28(26)22-31/h1-24H
InChIKeyGCROUJBPKSOFCE-UHFFFAOYSA-N
MW610.12 g/mol
LogP11.40
Rot. Bonds4

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

2-(4-chloro-2-dibenzofuran-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (PubChem CID 155430748) has the molecular formula C41H24ClN3O and a molecular weight of 610.12 g/mol. Its IUPAC name is 2-(4-chloro-2-dibenzofuran-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-chloro-2-dibenzofuran-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
PubChem CID155430748
Molecular FormulaC41H24ClN3O
Molecular Weight610.12 g/mol
Exact Mass609.16
IUPAC Name2-(4-chloro-2-dibenzofuran-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c(-c2ccc3c(c2)oc2ccccc23)c1
InChIInChI=1S/C41H24ClN3O/c42-32-18-20-35(36(24-32)29-17-19-34-33-11-5-6-12-37(33)46-38(34)23-29)41-44-39(30-15-13-25-7-1-3-9-27(25)21-30)43-40(45-41)31-16-14-26-8-2-4-10-28(26)22-31/h1-24H
InChIKeyGCROUJBPKSOFCE-UHFFFAOYSA-N
XLogP11.40
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.12
LogP ≤ 511.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-chloro-2-(6-naphthalen-1-ylnaphthalen-2-yl)phenyl]dibenzofuran
CID 169040050
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(9-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 176617031
2-(4-dibenzofuran-3-yldibenzofuran-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 166741531
2-(5-dibenzofuran-3-ylnaphthalen-1-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-(5-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 165072136
2-dibenzofuran-3-yl-4-(2-dibenzofuran-1-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
CID 167183122
2-(2-naphthalen-2-yldibenzofuran-3-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176617013
2-(5-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743379
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177119872
2-dibenzofuran-3-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 139571676
2-chloro-4-dibenzofuran-3-yl-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845166
3-naphthalen-2-yldibenzofuran
CID 68932481
2-dibenzofuran-3-yl-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
CID 154934269

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-dibenzofuran-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(4-chloro-2-dibenzofuran-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine (CID 155430748) is 2-(4-chloro-2-dibenzofuran-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(4-chloro-2-dibenzofuran-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(4-chloro-2-dibenzofuran-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is Clc1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)n2)c(-c2ccc3c(c2)oc2ccccc23)c1.
What is the InChIKey of 2-(4-chloro-2-dibenzofuran-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
The InChIKey is GCROUJBPKSOFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24ClN3O/c42-32-18-20-35(36(24-32)29-17-19-34-33-11-5-6-12-37(33)46-38(34)23-29)41-44-39(30-15-13-25-7-1-3-9-27(25)21-30)43-40(45-41)31-16-14-26-8-2-4-10-28(26)22-31/h1-24H.
What are the key properties of 2-(4-chloro-2-dibenzofuran-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine?
2-(4-chloro-2-dibenzofuran-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine has a molecular weight of 610.12 g/mol, XLogP of 11.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-dibenzofuran-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 155430748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).