2-dibenzofuran-2-yl-4-(8-ethyl-4-tricyclo[8.3.1.02,7]tetradeca-2(7),3,5-trienyl)-6-(3-phenylphenyl)-1,3,5-triazine

C43H37N3O — CID 166881061

IUPAC2-dibenzofuran-2-yl-4-(8-ethyl-4-tricyclo[8.3.1.02,7]tetradeca-2(7),3,5-trienyl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCCC1CC2CCCC(C2)c2cc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5oc6ccccc6c5c4)n3)ccc21
InChIInChI=1S/C43H37N3O/c1-2-28-22-27-10-8-14-31(23-27)37-25-33(18-20-35(28)37)42-44-41(32-15-9-13-30(24-32)29-11-4-3-5-12-29)45-43(46-42)34-19-21-40-38(26-34)36-16-6-7-17-39(36)47-40/h3-7,9,11-13,15-21,24-28,31H,2,8,10,14,22-23H2,1H3
InChIKeyXVJUQRXUBMKANT-UHFFFAOYSA-N
MW611.79 g/mol
LogP11.61
Rot. Bonds5

About 2-dibenzofuran-2-yl-4-(8-ethyl-4-tricyclo[8.3.1.02,7]tetradeca-2(7),3,5-trienyl)-6-(3-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-2-yl-4-(8-ethyl-4-tricyclo[8.3.1.02,7]tetradeca-2(7),3,5-trienyl)-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 166881061) has the molecular formula C43H37N3O and a molecular weight of 611.79 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-(8-ethyl-4-tricyclo[8.3.1.02,7]tetradeca-2(7),3,5-trienyl)-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-(8-ethyl-4-tricyclo[8.3.1.02,7]tetradeca-2(7),3,5-trienyl)-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID166881061
Molecular FormulaC43H37N3O
Molecular Weight611.79 g/mol
Exact Mass611.29
IUPAC Name2-dibenzofuran-2-yl-4-(8-ethyl-4-tricyclo[8.3.1.02,7]tetradeca-2(7),3,5-trienyl)-6-(3-phenylphenyl)-1,3,5-triazine
SMILESCCC1CC2CCCC(C2)c2cc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5oc6ccccc6c5c4)n3)ccc21
InChIInChI=1S/C43H37N3O/c1-2-28-22-27-10-8-14-31(23-27)37-25-33(18-20-35(28)37)42-44-41(32-15-9-13-30(24-32)29-11-4-3-5-12-29)45-43(46-42)34-19-21-40-38(26-34)36-16-6-7-17-39(36)47-40/h3-7,9,11-13,15-21,24-28,31H,2,8,10,14,22-23H2,1H3
InChIKeyXVJUQRXUBMKANT-UHFFFAOYSA-N
XLogP11.61
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.79
LogP ≤ 511.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-dibenzofuran-2-yl-4-(8-ethyl-4-tricyclo[8.3.1.02,7]tetradeca-2(7),3,5-trienyl)-6-(3-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915
2-dibenzofuran-2-yl-4-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 146431776
2-(3-dibenzofuran-3-ylphenyl)-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 155773189
2-(10-dibenzofuran-2-yltriphenylen-2-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 166925794
2-[10-(3-dibenzofuran-2-ylphenyl)triphenylen-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 166925660
2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 170942483
2-phenyl-4-[3-(8-phenyldibenzofuran-3-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 155773208
2-dibenzofuran-3-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166953269
2-phenyl-4-(8-phenyldibenzofuran-3-yl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155773119
2-phenyl-4-(4-phenylphenyl)-6-[3-[7-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine
CID 155773210
2-phenyl-4-[8-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171597223

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-(8-ethyl-4-tricyclo[8.3.1.02,7]tetradeca-2(7),3,5-trienyl)-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-(8-ethyl-4-tricyclo[8.3.1.02,7]tetradeca-2(7),3,5-trienyl)-6-(3-phenylphenyl)-1,3,5-triazine (CID 166881061) is 2-dibenzofuran-2-yl-4-(8-ethyl-4-tricyclo[8.3.1.02,7]tetradeca-2(7),3,5-trienyl)-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-(8-ethyl-4-tricyclo[8.3.1.02,7]tetradeca-2(7),3,5-trienyl)-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-(8-ethyl-4-tricyclo[8.3.1.02,7]tetradeca-2(7),3,5-trienyl)-6-(3-phenylphenyl)-1,3,5-triazine is CCC1CC2CCCC(C2)c2cc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4ccc5oc6ccccc6c5c4)n3)ccc21.
What is the InChIKey of 2-dibenzofuran-2-yl-4-(8-ethyl-4-tricyclo[8.3.1.02,7]tetradeca-2(7),3,5-trienyl)-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is XVJUQRXUBMKANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H37N3O/c1-2-28-22-27-10-8-14-31(23-27)37-25-33(18-20-35(28)37)42-44-41(32-15-9-13-30(24-32)29-11-4-3-5-12-29)45-43(46-42)34-19-21-40-38(26-34)36-16-6-7-17-39(36)47-40/h3-7,9,11-13,15-21,24-28,31H,2,8,10,14,22-23H2,1H3.
What are the key properties of 2-dibenzofuran-2-yl-4-(8-ethyl-4-tricyclo[8.3.1.02,7]tetradeca-2(7),3,5-trienyl)-6-(3-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-2-yl-4-(8-ethyl-4-tricyclo[8.3.1.02,7]tetradeca-2(7),3,5-trienyl)-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 611.79 g/mol, XLogP of 11.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-(8-ethyl-4-tricyclo[8.3.1.02,7]tetradeca-2(7),3,5-trienyl)-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 166881061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).