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

C43H26ClN3O — CID 164714650

IUPAC2-(3-chloronaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESClc1cc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cccc(-c4ccccc4)c3)n2)c2c(c1)oc1cc3ccccc3cc12
InChIInChI=1S/C43H26ClN3O/c44-35-25-37(40-36-23-32-14-7-8-15-33(32)24-38(36)48-39(40)26-35)43-46-41(30-20-18-29(19-21-30)27-10-3-1-4-11-27)45-42(47-43)34-17-9-16-31(22-34)28-12-5-2-6-13-28/h1-26H
InChIKeyKDPBYBWNGZOXKE-UHFFFAOYSA-N
MW636.15 g/mol
LogP11.91
Rot. Bonds5

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

2-(3-chloronaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 164714650) has the molecular formula C43H26ClN3O and a molecular weight of 636.15 g/mol. Its IUPAC name is 2-(3-chloronaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-chloronaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID164714650
Molecular FormulaC43H26ClN3O
Molecular Weight636.15 g/mol
Exact Mass635.18
IUPAC Name2-(3-chloronaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESClc1cc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cccc(-c4ccccc4)c3)n2)c2c(c1)oc1cc3ccccc3cc12
InChIInChI=1S/C43H26ClN3O/c44-35-25-37(40-36-23-32-14-7-8-15-33(32)24-38(36)48-39(40)26-35)43-46-41(30-20-18-29(19-21-30)27-10-3-1-4-11-27)45-42(47-43)34-17-9-16-31(22-34)28-12-5-2-6-13-28/h1-26H
InChIKeyKDPBYBWNGZOXKE-UHFFFAOYSA-N
XLogP11.91
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.15
LogP ≤ 511.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-naphthalen-1-ylphenyl)-4-phenyl-6-[3-(3-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
CID 171757190
2-[3-[3-(3-naphtho[2,3-b][1]benzofuran-1-ylphenyl)phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 134299618
2,4-diphenyl-6-[1-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-yl]-1,3,5-triazine
CID 171757250
2-phenyl-4-(6-phenylnaphthalen-2-yl)-6-(1-phenylnaphtho[2,3-b][1]benzofuran-3-yl)-1,3,5-triazine
CID 171754207
2-naphthalen-2-yl-4-(8-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 174316507
2,4-diphenyl-6-[1-(6-phenylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-3-yl]-1,3,5-triazine
CID 171757130
2-(3-naphthalen-1-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 164951936
2,4-dinaphthalen-1-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-1-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-(3-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 165088234
2-[8-(4-chlorophenyl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 142427415
2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-1-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine;2-naphthalen-2-yl-4-naphtho[2,3-b][1]benzofuran-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 163842076
2-(9-naphtho[2,3-b][1]benzofuran-3-ylnaphtho[2,3-b][1]benzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 174316497
2-phenyl-4-(3-phenylphenyl)-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 142515459

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloronaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(3-chloronaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 164714650) is 2-(3-chloronaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(3-chloronaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(3-chloronaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is Clc1cc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3cccc(-c4ccccc4)c3)n2)c2c(c1)oc1cc3ccccc3cc12.
What is the InChIKey of 2-(3-chloronaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is KDPBYBWNGZOXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26ClN3O/c44-35-25-37(40-36-23-32-14-7-8-15-33(32)24-38(36)48-39(40)26-35)43-46-41(30-20-18-29(19-21-30)27-10-3-1-4-11-27)45-42(47-43)34-17-9-16-31(22-34)28-12-5-2-6-13-28/h1-26H.
What are the key properties of 2-(3-chloronaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-(3-chloronaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 636.15 g/mol, XLogP of 11.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloronaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 164714650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).