2-chloro-4-dibenzofuran-3-yl-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine

C41H24ClN3O — CID 168845166

IUPAC2-chloro-4-dibenzofuran-3-yl-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
SMILESClc1nc(-c2cccc(-c3ccc4ccc(-c5ccc6ccccc6c5)cc4c3)c2)nc(-c2ccc3c(c2)oc2ccccc23)n1
InChIInChI=1S/C41H24ClN3O/c42-41-44-39(43-40(45-41)33-18-19-36-35-10-3-4-11-37(35)46-38(36)24-33)32-9-5-8-28(21-32)30-16-13-26-14-17-31(23-34(26)22-30)29-15-12-25-6-1-2-7-27(25)20-29/h1-24H
InChIKeyUUNMKYIKDVJWEF-UHFFFAOYSA-N
MW610.12 g/mol
LogP11.40
Rot. Bonds4

About 2-chloro-4-dibenzofuran-3-yl-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine

2-chloro-4-dibenzofuran-3-yl-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine (PubChem CID 168845166) has the molecular formula C41H24ClN3O and a molecular weight of 610.12 g/mol. Its IUPAC name is 2-chloro-4-dibenzofuran-3-yl-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-dibenzofuran-3-yl-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
PubChem CID168845166
Molecular FormulaC41H24ClN3O
Molecular Weight610.12 g/mol
Exact Mass609.16
IUPAC Name2-chloro-4-dibenzofuran-3-yl-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
SMILESClc1nc(-c2cccc(-c3ccc4ccc(-c5ccc6ccccc6c5)cc4c3)c2)nc(-c2ccc3c(c2)oc2ccccc23)n1
InChIInChI=1S/C41H24ClN3O/c42-41-44-39(43-40(45-41)33-18-19-36-35-10-3-4-11-37(35)46-38(36)24-33)32-9-5-8-28(21-32)30-16-13-26-14-17-31(23-34(26)22-30)29-15-12-25-6-1-2-7-27(25)20-29/h1-24H
InChIKeyUUNMKYIKDVJWEF-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

2-chloro-4-dibenzofuran-3-yl-6-[3-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845021
2-dibenzofuran-3-yl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 139571676
2-naphthalen-2-yl-4-(3-naphtho[2,3-b][1]benzofuran-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 155769859
2-(3-dibenzofuran-3-yl-5-phenylphenyl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 172545443
2-dibenzofuran-3-yl-4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazine
CID 154934269
2-chloro-4-dibenzofuran-3-yl-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 139330600
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177119872
2-dibenzofuran-3-yl-4-[3-[3-(6-naphthalen-2-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 154613642
2-chloro-4-(9-phenyldibenzofuran-3-yl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845088
2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 170942483
2-chloro-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;ethane
CID 142555495
2-dibenzofuran-2-yl-4-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine
CID 168844978

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-dibenzofuran-3-yl-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-dibenzofuran-3-yl-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine (CID 168845166) is 2-chloro-4-dibenzofuran-3-yl-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-dibenzofuran-3-yl-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-dibenzofuran-3-yl-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine is Clc1nc(-c2cccc(-c3ccc4ccc(-c5ccc6ccccc6c5)cc4c3)c2)nc(-c2ccc3c(c2)oc2ccccc23)n1.
What is the InChIKey of 2-chloro-4-dibenzofuran-3-yl-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
The InChIKey is UUNMKYIKDVJWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24ClN3O/c42-41-44-39(43-40(45-41)33-18-19-36-35-10-3-4-11-37(35)46-38(36)24-33)32-9-5-8-28(21-32)30-16-13-26-14-17-31(23-34(26)22-30)29-15-12-25-6-1-2-7-27(25)20-29/h1-24H.
What are the key properties of 2-chloro-4-dibenzofuran-3-yl-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine?
2-chloro-4-dibenzofuran-3-yl-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-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-chloro-4-dibenzofuran-3-yl-6-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 168845166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).