4-(5-dibenzofuran-4-ylnaphthalen-2-yl)-6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazine

C43H27N3OS — CID 174321217

IUPAC4-(5-dibenzofuran-4-ylnaphthalen-2-yl)-6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2N=C(c3ccc4c(-c5cccc6c5oc5ccccc56)cccc4c3)N=C(c3cccc4sc5ccccc5c34)N2)cc1
InChIInChI=1S/C43H27N3OS/c1-2-11-26(12-3-1)41-44-42(46-43(45-41)35-19-10-22-38-39(35)34-15-5-7-21-37(34)48-38)28-23-24-29-27(25-28)13-8-16-30(29)32-17-9-18-33-31-14-4-6-20-36(31)47-40(32)33/h1-25,41H,(H,44,45,46)
InChIKeyXCUIMSPCSPTBMI-UHFFFAOYSA-N
MW633.78 g/mol
LogP11.27
Rot. Bonds4

About 4-(5-dibenzofuran-4-ylnaphthalen-2-yl)-6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazine

4-(5-dibenzofuran-4-ylnaphthalen-2-yl)-6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 174321217) has the molecular formula C43H27N3OS and a molecular weight of 633.78 g/mol. Its IUPAC name is 4-(5-dibenzofuran-4-ylnaphthalen-2-yl)-6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-(5-dibenzofuran-4-ylnaphthalen-2-yl)-6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
PubChem CID174321217
Molecular FormulaC43H27N3OS
Molecular Weight633.78 g/mol
Exact Mass633.19
IUPAC Name4-(5-dibenzofuran-4-ylnaphthalen-2-yl)-6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2N=C(c3ccc4c(-c5cccc6c5oc5ccccc56)cccc4c3)N=C(c3cccc4sc5ccccc5c34)N2)cc1
InChIInChI=1S/C43H27N3OS/c1-2-11-26(12-3-1)41-44-42(46-43(45-41)35-19-10-22-38-39(35)34-15-5-7-21-37(34)48-38)28-23-24-29-27(25-28)13-8-16-30(29)32-17-9-18-33-31-14-4-6-20-36(31)47-40(32)33/h1-25,41H,(H,44,45,46)
InChIKeyXCUIMSPCSPTBMI-UHFFFAOYSA-N
XLogP11.27
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.78
LogP ≤ 511.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-naphthalen-1-ylphenyl)-6-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167132630
6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 170364065
4-dibenzothiophen-2-yl-6-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167008414
4-dibenzofuran-4-yl-6-(8-phenanthren-3-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 137301524
4-[6-(2-dibenzofuran-4-ylphenyl)dibenzothiophen-3-yl]-6-phenyl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 170192304
15-dibenzothiophen-1-yl-12-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)-17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 166800277
5-[2-dibenzofuran-4-yl-4-(6-naphthalen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)phenyl]benzo[b]carbazole
CID 155474715
2-phenyl-4-(3-phenylphenyl)-6-[8-[4-[2-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,2-dihydro-1,3,5-triazine
CID 137285252
5-[4-[4-dibenzothiophen-2-yl-2-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166699937
6-(9-naphthalen-2-yldibenzofuran-1-yl)-4-phenanthren-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029850
4-(6-dibenzofuran-3-yldibenzofuran-4-yl)-2-dibenzothiophen-1-yl-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 163577931
6-(6-dibenzofuran-2-yldibenzofuran-2-yl)-2,4-diphenyl-1,2-dihydro-1,3,5-triazine
CID 166961200

Frequently Asked Questions

What is the IUPAC name of 4-(5-dibenzofuran-4-ylnaphthalen-2-yl)-6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 4-(5-dibenzofuran-4-ylnaphthalen-2-yl)-6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazine (CID 174321217) is 4-(5-dibenzofuran-4-ylnaphthalen-2-yl)-6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-(5-dibenzofuran-4-ylnaphthalen-2-yl)-6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 4-(5-dibenzofuran-4-ylnaphthalen-2-yl)-6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazine is c1ccc(C2N=C(c3ccc4c(-c5cccc6c5oc5ccccc56)cccc4c3)N=C(c3cccc4sc5ccccc5c34)N2)cc1.
What is the InChIKey of 4-(5-dibenzofuran-4-ylnaphthalen-2-yl)-6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is XCUIMSPCSPTBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3OS/c1-2-11-26(12-3-1)41-44-42(46-43(45-41)35-19-10-22-38-39(35)34-15-5-7-21-37(34)48-38)28-23-24-29-27(25-28)13-8-16-30(29)32-17-9-18-33-31-14-4-6-20-36(31)47-40(32)33/h1-25,41H,(H,44,45,46).
What are the key properties of 4-(5-dibenzofuran-4-ylnaphthalen-2-yl)-6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazine?
4-(5-dibenzofuran-4-ylnaphthalen-2-yl)-6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazine has a molecular weight of 633.78 g/mol, XLogP of 11.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-dibenzofuran-4-ylnaphthalen-2-yl)-6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 174321217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).