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

C43H24ClN3O2 — CID 167347840

IUPAC2-(6-chloronaphtho[1,2-b][1]benzofuran-5-yl)-4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESClc1c(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc4oc5ccccc5c34)n2)c2ccccc2c2oc3ccccc3c12
InChIInChI=1S/C43H24ClN3O2/c44-39-37-31-19-7-9-22-34(31)49-40(37)29-17-5-4-16-28(29)38(39)43-46-41(27-15-10-14-26(24-27)25-12-2-1-3-13-25)45-42(47-43)32-20-11-23-35-36(32)30-18-6-8-21-33(30)48-35/h1-24H
InChIKeyUAFXUMPOMQBXHB-UHFFFAOYSA-N
MW650.14 g/mol
LogP12.15
Rot. Bonds4

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

2-(6-chloronaphtho[1,2-b][1]benzofuran-5-yl)-4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 167347840) has the molecular formula C43H24ClN3O2 and a molecular weight of 650.14 g/mol. Its IUPAC name is 2-(6-chloronaphtho[1,2-b][1]benzofuran-5-yl)-4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(6-chloronaphtho[1,2-b][1]benzofuran-5-yl)-4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID167347840
Molecular FormulaC43H24ClN3O2
Molecular Weight650.14 g/mol
Exact Mass649.16
IUPAC Name2-(6-chloronaphtho[1,2-b][1]benzofuran-5-yl)-4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESClc1c(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc4oc5ccccc5c34)n2)c2ccccc2c2oc3ccccc3c12
InChIInChI=1S/C43H24ClN3O2/c44-39-37-31-19-7-9-22-34(31)49-40(37)29-17-5-4-16-28(29)38(39)43-46-41(27-15-10-14-26(24-27)25-12-2-1-3-13-25)45-42(47-43)32-20-11-23-35-36(32)30-18-6-8-21-33(30)48-35/h1-24H
InChIKeyUAFXUMPOMQBXHB-UHFFFAOYSA-N
XLogP12.15
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.14
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-1-yl-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 171607729
2-dibenzofuran-1-yl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176818397
2-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166952291
2-phenyl-4-[6-(3-phenyldibenzofuran-1-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170200545
2-phenyl-4-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 162712574
2-dibenzofuran-1-yl-4-(6-phenylnaphthalen-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 162504507
2-dibenzofuran-1-yl-4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-phenyldibenzofuran-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 166565423
2-dibenzofuran-1-yl-4-(3-dibenzofuran-4-yl-2,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 177079122
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165036845
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[2-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-[3-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 158497651
2-dibenzofuran-4-yl-4-phenyl-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199121
2-(4-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853535

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloronaphtho[1,2-b][1]benzofuran-5-yl)-4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(6-chloronaphtho[1,2-b][1]benzofuran-5-yl)-4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazine (CID 167347840) is 2-(6-chloronaphtho[1,2-b][1]benzofuran-5-yl)-4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(6-chloronaphtho[1,2-b][1]benzofuran-5-yl)-4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(6-chloronaphtho[1,2-b][1]benzofuran-5-yl)-4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazine is Clc1c(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc4oc5ccccc5c34)n2)c2ccccc2c2oc3ccccc3c12.
What is the InChIKey of 2-(6-chloronaphtho[1,2-b][1]benzofuran-5-yl)-4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is UAFXUMPOMQBXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24ClN3O2/c44-39-37-31-19-7-9-22-34(31)49-40(37)29-17-5-4-16-28(29)38(39)43-46-41(27-15-10-14-26(24-27)25-12-2-1-3-13-25)45-42(47-43)32-20-11-23-35-36(32)30-18-6-8-21-33(30)48-35/h1-24H.
What are the key properties of 2-(6-chloronaphtho[1,2-b][1]benzofuran-5-yl)-4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazine?
2-(6-chloronaphtho[1,2-b][1]benzofuran-5-yl)-4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 650.14 g/mol, XLogP of 12.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloronaphtho[1,2-b][1]benzofuran-5-yl)-4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 167347840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).