2-(2-chlorodibenzofuran-1-yl)-4-(6-cyclohexa-1,3-dien-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine

C41H26ClN3O — CID 167007738

IUPAC2-(2-chlorodibenzofuran-1-yl)-4-(6-cyclohexa-1,3-dien-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
SMILESClc1ccc2oc3ccccc3c2c1-c1nc(-c2ccc3ccccc3c2)nc(-c2ccc3cc(C4=CC=CCC4)ccc3c2)n1
InChIInChI=1S/C41H26ClN3O/c42-34-20-21-36-37(33-12-6-7-13-35(33)46-36)38(34)41-44-39(31-18-14-26-10-4-5-11-27(26)23-31)43-40(45-41)32-19-17-29-22-28(15-16-30(29)24-32)25-8-2-1-3-9-25/h1-2,4-8,10-24H,3,9H2
InChIKeyBRAGSOUITJTNOA-UHFFFAOYSA-N
MW612.13 g/mol
LogP11.47
Rot. Bonds4

About 2-(2-chlorodibenzofuran-1-yl)-4-(6-cyclohexa-1,3-dien-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine

2-(2-chlorodibenzofuran-1-yl)-4-(6-cyclohexa-1,3-dien-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine (PubChem CID 167007738) has the molecular formula C41H26ClN3O and a molecular weight of 612.13 g/mol. Its IUPAC name is 2-(2-chlorodibenzofuran-1-yl)-4-(6-cyclohexa-1,3-dien-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-(2-chlorodibenzofuran-1-yl)-4-(6-cyclohexa-1,3-dien-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
PubChem CID167007738
Molecular FormulaC41H26ClN3O
Molecular Weight612.13 g/mol
Exact Mass611.18
IUPAC Name2-(2-chlorodibenzofuran-1-yl)-4-(6-cyclohexa-1,3-dien-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
SMILESClc1ccc2oc3ccccc3c2c1-c1nc(-c2ccc3ccccc3c2)nc(-c2ccc3cc(C4=CC=CCC4)ccc3c2)n1
InChIInChI=1S/C41H26ClN3O/c42-34-20-21-36-37(33-12-6-7-13-35(33)46-36)38(34)41-44-39(31-18-14-26-10-4-5-11-27(26)23-31)43-40(45-41)32-19-17-29-22-28(15-16-30(29)24-32)25-8-2-1-3-9-25/h1-2,4-8,10-24H,3,9H2
InChIKeyBRAGSOUITJTNOA-UHFFFAOYSA-N
XLogP11.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.13
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[7-[8-(4-cyclohexa-1,3-dien-1-ylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-dibenzofuran-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 167007621
2-chloro-4-cyclohexa-1,3-dien-1-yl-6-dibenzofuran-2-yl-1,3,5-triazine
CID 155201224
2-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-4-naphthalen-2-yl-6-(3-naphthalen-2-yldibenzofuran-1-yl)-1,3,5-triazine
CID 170301983
2-[9-(4-cyclohexa-1,3-dien-1-ylphenyl)dibenzofuran-1-yl]-4-naphthalen-2-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 167007246
2-[2-(4-cyclohexa-1,3-dien-1-ylnaphthalen-1-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 170126361
2-cyclohexa-1,3-dien-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-2-yl)-6-phenanthren-2-yl-1,3,5-triazine
CID 167182994
2-(4-chlorodibenzofuran-1-yl)-4-dibenzofuran-2-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166739267
2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166741483
2-naphthalen-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742408
2-[3-(4-cyclohexa-1,3-dien-1-yldibenzofuran-1-yl)phenyl]-4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 167008116
2-[2-(2,3-dihydrodibenzofuran-4-yl)dibenzofuran-1-yl]-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 170127848
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazine
CID 158181891

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorodibenzofuran-1-yl)-4-(6-cyclohexa-1,3-dien-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The IUPAC name of 2-(2-chlorodibenzofuran-1-yl)-4-(6-cyclohexa-1,3-dien-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine (CID 167007738) is 2-(2-chlorodibenzofuran-1-yl)-4-(6-cyclohexa-1,3-dien-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine.
What is the SMILES notation for 2-(2-chlorodibenzofuran-1-yl)-4-(6-cyclohexa-1,3-dien-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The canonical SMILES for 2-(2-chlorodibenzofuran-1-yl)-4-(6-cyclohexa-1,3-dien-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine is Clc1ccc2oc3ccccc3c2c1-c1nc(-c2ccc3ccccc3c2)nc(-c2ccc3cc(C4=CC=CCC4)ccc3c2)n1.
What is the InChIKey of 2-(2-chlorodibenzofuran-1-yl)-4-(6-cyclohexa-1,3-dien-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine?
The InChIKey is BRAGSOUITJTNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H26ClN3O/c42-34-20-21-36-37(33-12-6-7-13-35(33)46-36)38(34)41-44-39(31-18-14-26-10-4-5-11-27(26)23-31)43-40(45-41)32-19-17-29-22-28(15-16-30(29)24-32)25-8-2-1-3-9-25/h1-2,4-8,10-24H,3,9H2.
What are the key properties of 2-(2-chlorodibenzofuran-1-yl)-4-(6-cyclohexa-1,3-dien-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine?
2-(2-chlorodibenzofuran-1-yl)-4-(6-cyclohexa-1,3-dien-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine has a molecular weight of 612.13 g/mol, XLogP of 11.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorodibenzofuran-1-yl)-4-(6-cyclohexa-1,3-dien-1-ylnaphthalen-2-yl)-6-naphthalen-2-yl-1,3,5-triazine is sourced from PubChem (CID 167007738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).