2-(4-naphthalen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazine

C47H33N3O — CID 170008980

IUPAC2-(4-naphthalen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazine
SMILESC1=CC(c2ccc3ccccc3c2)CC=C1c1nc(C2=CC=C(c3cccc4ccccc34)C3Oc4ccccc4C23)nc(-c2ccccc2)n1
InChIInChI=1S/C47H33N3O/c1-2-13-33(14-3-1)45-48-46(34-24-21-31(22-25-34)36-26-23-30-11-4-5-15-35(30)29-36)50-47(49-45)41-28-27-39(38-19-10-16-32-12-6-7-17-37(32)38)44-43(41)40-18-8-9-20-42(40)51-44/h1-21,23-29,31,43-44H,22H2
InChIKeyOVEYTZDAJKQMET-UHFFFAOYSA-N
MW655.80 g/mol
LogP11.00
Rot. Bonds5

About 2-(4-naphthalen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazine

2-(4-naphthalen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 170008980) has the molecular formula C47H33N3O and a molecular weight of 655.80 g/mol. Its IUPAC name is 2-(4-naphthalen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-naphthalen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazine
PubChem CID170008980
Molecular FormulaC47H33N3O
Molecular Weight655.80 g/mol
Exact Mass655.26
IUPAC Name2-(4-naphthalen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazine
SMILESC1=CC(c2ccc3ccccc3c2)CC=C1c1nc(C2=CC=C(c3cccc4ccccc34)C3Oc4ccccc4C23)nc(-c2ccccc2)n1
InChIInChI=1S/C47H33N3O/c1-2-13-33(14-3-1)45-48-46(34-24-21-31(22-25-34)36-26-23-30-11-4-5-15-35(30)29-36)50-47(49-45)41-28-27-39(38-19-10-16-32-12-6-7-17-37(32)38)44-43(41)40-18-8-9-20-42(40)51-44/h1-21,23-29,31,43-44H,22H2
InChIKeyOVEYTZDAJKQMET-UHFFFAOYSA-N
XLogP11.00
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.80
LogP ≤ 511.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-naphthalen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
CID 167008238
2,4-diphenyl-6-[4-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)cyclohexa-2,4-dien-1-yl]phenyl]-1,3,5-triazine
CID 167113778
2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-ylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167008068
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-[4-(4-phenylcyclohexa-1,5-dien-1-yl)naphthalen-1-yl]-1,3,5-triazine
CID 177112927
2,4-diphenyl-6-[5-(4-pyridin-2-ylcyclohexa-1,5-dien-1-yl)naphthalen-2-yl]-1,3,5-triazine
CID 134444959
2-[2-(4a,9b-dihydrodibenzofuran-1-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166741609
2-[4-[3-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-8-yl)phenyl]cyclohexa-1,5-dien-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 163902617
2-[3,5-bis(4-pyrimidin-2-ylphenyl)phenyl]-4-(4-phenylcyclohexa-1,5-dien-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 122543049
2-[5-[4-(4a,9b-dihydrodibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]benzonitrile
CID 168731978
2-(4a,9b-dihydrodibenzofuran-1-yl)-4-chloro-6-naphthalen-1-yl-1,3,5-triazine
CID 167007774
2-naphthalen-1-yl-4-phenyl-6-[9-(4-phenylphenyl)-4a,9b-dihydrodibenzofuran-1-yl]-1,3,5-triazine
CID 170007353
2-[5-(4a,9b-dihydrodibenzofuran-1-yl)naphthalen-1-yl]-4-phenanthren-3-yl-6-phenanthren-9-yl-1,3,5-triazine
CID 167182202

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-(4-naphthalen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazine (CID 170008980) is 2-(4-naphthalen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-naphthalen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-naphthalen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazine is C1=CC(c2ccc3ccccc3c2)CC=C1c1nc(C2=CC=C(c3cccc4ccccc34)C3Oc4ccccc4C23)nc(-c2ccccc2)n1.
What is the InChIKey of 2-(4-naphthalen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is OVEYTZDAJKQMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33N3O/c1-2-13-33(14-3-1)45-48-46(34-24-21-31(22-25-34)36-26-23-30-11-4-5-15-35(30)29-36)50-47(49-45)41-28-27-39(38-19-10-16-32-12-6-7-17-37(32)38)44-43(41)40-18-8-9-20-42(40)51-44/h1-21,23-29,31,43-44H,22H2.
What are the key properties of 2-(4-naphthalen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazine?
2-(4-naphthalen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 655.80 g/mol, XLogP of 11.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-1-yl-4a,9b-dihydrodibenzofuran-1-yl)-4-(4-naphthalen-2-ylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170008980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).