2-[4-[2-(4a,8a-dihydronaphthalen-2-yl)phenyl]dibenzofuran-1-yl]-6-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine

C47H35N3O — CID 163593537

IUPAC2-[4-[2-(4a,8a-dihydronaphthalen-2-yl)phenyl]dibenzofuran-1-yl]-6-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESC1=CC2C=CC(c3ccccc3-c3ccc(C4NC(c5ccc6ccccc6c5)=NC(c5ccccc5)N4)c4c3oc3ccccc34)=CC2C=C1
InChIInChI=1S/C47H35N3O/c1-2-14-32(15-3-1)45-48-46(36-25-23-31-13-5-7-17-34(31)29-36)50-47(49-45)41-27-26-39(44-43(41)40-20-10-11-21-42(40)51-44)38-19-9-8-18-37(38)35-24-22-30-12-4-6-16-33(30)28-35/h1-30,33,45,47,49H,(H,48,50)
InChIKeyGRNIWUPHLSHOGT-UHFFFAOYSA-N
MW657.82 g/mol
LogP11.05
Rot. Bonds5

About 2-[4-[2-(4a,8a-dihydronaphthalen-2-yl)phenyl]dibenzofuran-1-yl]-6-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine

2-[4-[2-(4a,8a-dihydronaphthalen-2-yl)phenyl]dibenzofuran-1-yl]-6-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine (PubChem CID 163593537) has the molecular formula C47H35N3O and a molecular weight of 657.82 g/mol. Its IUPAC name is 2-[4-[2-(4a,8a-dihydronaphthalen-2-yl)phenyl]dibenzofuran-1-yl]-6-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[2-(4a,8a-dihydronaphthalen-2-yl)phenyl]dibenzofuran-1-yl]-6-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
PubChem CID163593537
Molecular FormulaC47H35N3O
Molecular Weight657.82 g/mol
Exact Mass657.28
IUPAC Name2-[4-[2-(4a,8a-dihydronaphthalen-2-yl)phenyl]dibenzofuran-1-yl]-6-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
SMILESC1=CC2C=CC(c3ccccc3-c3ccc(C4NC(c5ccc6ccccc6c5)=NC(c5ccccc5)N4)c4c3oc3ccccc34)=CC2C=C1
InChIInChI=1S/C47H35N3O/c1-2-14-32(15-3-1)45-48-46(36-25-23-31-13-5-7-17-34(31)29-36)50-47(49-45)41-27-26-39(44-43(41)40-20-10-11-21-42(40)51-44)38-19-9-8-18-37(38)35-24-22-30-12-4-6-16-33(30)28-35/h1-30,33,45,47,49H,(H,48,50)
InChIKeyGRNIWUPHLSHOGT-UHFFFAOYSA-N
XLogP11.05
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.82
LogP ≤ 511.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[2-(4a,8a-dihydronaphthalen-2-yl)phenyl]dibenzofuran-1-yl]-6-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine with MolForge

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Related Compounds

6-phenanthren-3-yl-4-phenyl-2-[2-(4-phenyldibenzofuran-1-yl)phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029700
2-[4-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 156553978
2-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-naphthalen-2-yl-4-(4-naphthalen-1-ylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167038129
2-(3-naphtho[2,1-b][1]benzofuran-5-yldibenzofuran-1-yl)-6-phenanthren-3-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029886
4,6-diphenyl-2-[7-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029875
4-dibenzofuran-4-yl-6-phenanthren-2-yl-2-(8-phenyldibenzofuran-1-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167029951
2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 170250101
2-[4-(6-naphtho[2,3-b][1]benzofuran-1-yldibenzofuran-4-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163865537
2-dibenzofuran-4-yl-6-(7-dibenzofuran-4-yldibenzothiophen-2-yl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 149480097
2-(8-dibenzofuran-3-ylnaphtho[1,2-b][1]benzofuran-6-yl)-4,6-bis(3-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 163631665
10-[6-(2-dibenzofuran-1-yl-6-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)naphthalen-2-yl]-[1]benzofuro[2,3-g]quinoline
CID 166800216
2-[2-(4-naphtho[2,3-b][1]benzofuran-6-ylphenyl)naphthalen-1-yl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099184

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4a,8a-dihydronaphthalen-2-yl)phenyl]dibenzofuran-1-yl]-6-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The IUPAC name of 2-[4-[2-(4a,8a-dihydronaphthalen-2-yl)phenyl]dibenzofuran-1-yl]-6-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine (CID 163593537) is 2-[4-[2-(4a,8a-dihydronaphthalen-2-yl)phenyl]dibenzofuran-1-yl]-6-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine.
What is the SMILES notation for 2-[4-[2-(4a,8a-dihydronaphthalen-2-yl)phenyl]dibenzofuran-1-yl]-6-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The canonical SMILES for 2-[4-[2-(4a,8a-dihydronaphthalen-2-yl)phenyl]dibenzofuran-1-yl]-6-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine is C1=CC2C=CC(c3ccccc3-c3ccc(C4NC(c5ccc6ccccc6c5)=NC(c5ccccc5)N4)c4c3oc3ccccc34)=CC2C=C1.
What is the InChIKey of 2-[4-[2-(4a,8a-dihydronaphthalen-2-yl)phenyl]dibenzofuran-1-yl]-6-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
The InChIKey is GRNIWUPHLSHOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N3O/c1-2-14-32(15-3-1)45-48-46(36-25-23-31-13-5-7-17-34(31)29-36)50-47(49-45)41-27-26-39(44-43(41)40-20-10-11-21-42(40)51-44)38-19-9-8-18-37(38)35-24-22-30-12-4-6-16-33(30)28-35/h1-30,33,45,47,49H,(H,48,50).
What are the key properties of 2-[4-[2-(4a,8a-dihydronaphthalen-2-yl)phenyl]dibenzofuran-1-yl]-6-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine?
2-[4-[2-(4a,8a-dihydronaphthalen-2-yl)phenyl]dibenzofuran-1-yl]-6-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine has a molecular weight of 657.82 g/mol, XLogP of 11.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4a,8a-dihydronaphthalen-2-yl)phenyl]dibenzofuran-1-yl]-6-naphthalen-2-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 163593537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).