2-(10-chloronaphtho[1,2-b][1]benzofuran-7-yl)-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine

C43H24ClN3O2 — CID 164715095

IUPAC2-(10-chloronaphtho[1,2-b][1]benzofuran-7-yl)-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc4c3oc3ccccc34)n2)c2c1oc1c3ccccc3ccc12
InChIInChI=1S/C43H24ClN3O2/c44-35-23-22-33(37-32-21-20-26-12-4-5-15-29(26)38(32)49-40(35)37)42-45-41(28-14-8-13-27(24-28)25-10-2-1-3-11-25)46-43(47-42)34-18-9-17-31-30-16-6-7-19-36(30)48-39(31)34/h1-24H
InChIKeyMZJGDRWPOCRDJT-UHFFFAOYSA-N
MW650.14 g/mol
LogP12.15
Rot. Bonds4

About 2-(10-chloronaphtho[1,2-b][1]benzofuran-7-yl)-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine

2-(10-chloronaphtho[1,2-b][1]benzofuran-7-yl)-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 164715095) has the molecular formula C43H24ClN3O2 and a molecular weight of 650.14 g/mol. Its IUPAC name is 2-(10-chloronaphtho[1,2-b][1]benzofuran-7-yl)-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(10-chloronaphtho[1,2-b][1]benzofuran-7-yl)-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID164715095
Molecular FormulaC43H24ClN3O2
Molecular Weight650.14 g/mol
Exact Mass649.16
IUPAC Name2-(10-chloronaphtho[1,2-b][1]benzofuran-7-yl)-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESClc1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc4c3oc3ccccc34)n2)c2c1oc1c3ccccc3ccc12
InChIInChI=1S/C43H24ClN3O2/c44-35-23-22-33(37-32-21-20-26-12-4-5-15-29(26)38(32)49-40(35)37)42-45-41(28-14-8-13-27(24-28)25-10-2-1-3-11-25)46-43(47-42)34-18-9-17-31-30-16-6-7-19-36(30)48-39(31)34/h1-24H
InChIKeyMZJGDRWPOCRDJT-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-naphtho[1,2-b][1]benzofuran-1-yl-4-(9-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 163623403
2-(4-chlorodibenzofuran-1-yl)-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 166743189
2-(4-chlorodibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 159529301
2-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166952291
2-dibenzofuran-4-yl-4-phenanthren-4-yl-6-(7-phenylphenanthren-2-yl)-1,3,5-triazine
CID 169278592
2-dibenzofuran-4-yl-4-phenanthren-3-yl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742749
2-dibenzofuran-4-yl-4-[3-(5-naphthalen-1-ylnaphthalen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 168845004
2-dibenzofuran-4-yl-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155481524
2-naphtho[1,2-b][1]benzofuran-7-yl-4-(5-phenylnaphthalen-2-yl)-6-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 177278839
2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(3-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139441843
2-chloro-4-dibenzofuran-4-yl-6-[3-(8-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 168845014
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155481433

Frequently Asked Questions

What is the IUPAC name of 2-(10-chloronaphtho[1,2-b][1]benzofuran-7-yl)-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(10-chloronaphtho[1,2-b][1]benzofuran-7-yl)-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine (CID 164715095) is 2-(10-chloronaphtho[1,2-b][1]benzofuran-7-yl)-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(10-chloronaphtho[1,2-b][1]benzofuran-7-yl)-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(10-chloronaphtho[1,2-b][1]benzofuran-7-yl)-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine is Clc1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc4c3oc3ccccc34)n2)c2c1oc1c3ccccc3ccc12.
What is the InChIKey of 2-(10-chloronaphtho[1,2-b][1]benzofuran-7-yl)-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is MZJGDRWPOCRDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24ClN3O2/c44-35-23-22-33(37-32-21-20-26-12-4-5-15-29(26)38(32)49-40(35)37)42-45-41(28-14-8-13-27(24-28)25-10-2-1-3-11-25)46-43(47-42)34-18-9-17-31-30-16-6-7-19-36(30)48-39(31)34/h1-24H.
What are the key properties of 2-(10-chloronaphtho[1,2-b][1]benzofuran-7-yl)-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine?
2-(10-chloronaphtho[1,2-b][1]benzofuran-7-yl)-4-dibenzofuran-4-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-(10-chloronaphtho[1,2-b][1]benzofuran-7-yl)-4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 164715095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).