2-[4-(9-chloronaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine

C41H24ClN3O — CID 176818716

IUPAC2-[4-(9-chloronaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESClc1ccc2c(c1)oc1c3ccccc3c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)cc21
InChIInChI=1S/C41H24ClN3O/c42-27-19-20-32-36-24-35(30-17-9-10-18-33(30)38(36)46-37(32)23-27)31-21-22-34(29-16-8-7-15-28(29)31)41-44-39(25-11-3-1-4-12-25)43-40(45-41)26-13-5-2-6-14-26/h1-24H
InChIKeyXJJBINZRGDKTIX-UHFFFAOYSA-N
MW610.12 g/mol
LogP11.40
Rot. Bonds4

About 2-[4-(9-chloronaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine

2-[4-(9-chloronaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 176818716) has the molecular formula C41H24ClN3O and a molecular weight of 610.12 g/mol. Its IUPAC name is 2-[4-(9-chloronaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(9-chloronaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID176818716
Molecular FormulaC41H24ClN3O
Molecular Weight610.12 g/mol
Exact Mass609.16
IUPAC Name2-[4-(9-chloronaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESClc1ccc2c(c1)oc1c3ccccc3c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)cc21
InChIInChI=1S/C41H24ClN3O/c42-27-19-20-32-36-24-35(30-17-9-10-18-33(30)38(36)46-37(32)23-27)31-21-22-34(29-16-8-7-15-28(29)31)41-44-39(25-11-3-1-4-12-25)43-40(45-41)26-13-5-2-6-14-26/h1-24H
InChIKeyXJJBINZRGDKTIX-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-(5-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-9-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818458
2,4-diphenyl-6-[9-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]-1,3,5-triazine
CID 167143892
2-naphthalen-2-yl-4-phenyl-6-[4-(2-phenylnaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-1,3,5-triazine
CID 176853677
2-(4-chlorophenyl)-4-(6-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 171430930
2,4-dinaphthalen-1-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine
CID 176817695
2-(4-naphtho[1,2-b][1]benzofuran-3-ylnaphthalen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 155474132
2-phenyl-4-(4-phenylphenyl)-6-[3-[9-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-1,3,5-triazine
CID 176817791
2-(3-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine
CID 135143486
2-(7-chlorodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 170668166
2-dibenzofuran-4-yl-4-phenyl-6-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]-1,3,5-triazine
CID 176817867
2-(7-chlorodibenzofuran-3-yl)-4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazine
CID 162471283
2-[4-(3,5-diphenylphenyl)phenyl]-4-naphtho[1,2-b][1]benzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 154948000

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9-chloronaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-(9-chloronaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine (CID 176818716) is 2-[4-(9-chloronaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(9-chloronaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-(9-chloronaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine is Clc1ccc2c(c1)oc1c3ccccc3c(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c4ccccc34)cc21.
What is the InChIKey of 2-[4-(9-chloronaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is XJJBINZRGDKTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24ClN3O/c42-27-19-20-32-36-24-35(30-17-9-10-18-33(30)38(36)46-37(32)23-27)31-21-22-34(29-16-8-7-15-28(29)31)41-44-39(25-11-3-1-4-12-25)43-40(45-41)26-13-5-2-6-14-26/h1-24H.
What are the key properties of 2-[4-(9-chloronaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
2-[4-(9-chloronaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-4,6-diphenyl-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-(9-chloronaphtho[1,2-b][1]benzofuran-5-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 176818716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).