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

C43H27N3OS — CID 170364065

IUPAC6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2N=C(c3ccc4sc5ccccc5c4c3)N=C(c3ccc(-c4cccc5oc6ccccc6c45)c4ccccc34)N2)cc1
InChIInChI=1S/C43H27N3OS/c1-2-11-26(12-3-1)41-44-42(27-21-24-39-35(25-27)31-15-7-9-20-38(31)48-39)46-43(45-41)33-23-22-30(28-13-4-5-14-29(28)33)32-17-10-19-37-40(32)34-16-6-8-18-36(34)47-37/h1-25,41H,(H,44,45,46)
InChIKeyDPHMTOCZSSPSRG-UHFFFAOYSA-N
MW633.78 g/mol
LogP11.27
Rot. Bonds4

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

6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazine (PubChem CID 170364065) has the molecular formula C43H27N3OS and a molecular weight of 633.78 g/mol. Its IUPAC name is 6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
PubChem CID170364065
Molecular FormulaC43H27N3OS
Molecular Weight633.78 g/mol
Exact Mass633.19
IUPAC Name6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
SMILESc1ccc(C2N=C(c3ccc4sc5ccccc5c4c3)N=C(c3ccc(-c4cccc5oc6ccccc6c45)c4ccccc34)N2)cc1
InChIInChI=1S/C43H27N3OS/c1-2-11-26(12-3-1)41-44-42(27-21-24-39-35(25-27)31-15-7-9-20-38(31)48-39)46-43(45-41)33-23-22-30(28-13-4-5-14-29(28)33)32-17-10-19-37-40(32)34-16-6-8-18-36(34)47-37/h1-25,41H,(H,44,45,46)
InChIKeyDPHMTOCZSSPSRG-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-dibenzothiophen-2-yl-6-(3-dibenzothiophen-1-yldibenzofuran-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 167008414
4-(8-dibenzothiophen-2-yldibenzofuran-2-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 167185632
4-dibenzothiophen-2-yl-2-phenyl-6-[7-(7-phenyldibenzofuran-1-yl)naphthalen-2-yl]-1,2-dihydro-1,3,5-triazine
CID 167029864
(2R)-2,6-diphenyl-4-[3-[8-(8-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 166744213
4-[6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl]-[1]benzofuro[2,3-c]pyridine
CID 163854354
4-(5-dibenzofuran-4-ylnaphthalen-2-yl)-6-dibenzothiophen-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazine
CID 174321217
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
2,4-diphenyl-6-(8-triphenylen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 166961389
9-[8-[8-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-1-yl]dibenzothiophen-3-yl]carbazole
CID 166962570
2,6-diphenyl-4-(9-triphenylen-2-yldibenzofuran-3-yl)-1,2-dihydro-1,3,5-triazine
CID 166961434
4-[4-[4-(2,4-diphenyl-1,2-dihydro-1,3,5-triazin-6-yl)naphthalen-1-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 163426501
2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 170250337

Frequently Asked Questions

What is the IUPAC name of 6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazine (CID 170364065) is 6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazine is c1ccc(C2N=C(c3ccc4sc5ccccc5c4c3)N=C(c3ccc(-c4cccc5oc6ccccc6c45)c4ccccc34)N2)cc1.
What is the InChIKey of 6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazine?
The InChIKey is DPHMTOCZSSPSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N3OS/c1-2-11-26(12-3-1)41-44-42(27-21-24-39-35(25-27)31-15-7-9-20-38(31)48-39)46-43(45-41)33-23-22-30(28-13-4-5-14-29(28)33)32-17-10-19-37-40(32)34-16-6-8-18-36(34)47-37/h1-25,41H,(H,44,45,46).
What are the key properties of 6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazine?
6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-dibenzothiophen-2-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 6-(4-dibenzofuran-1-ylnaphthalen-1-yl)-4-dibenzothiophen-2-yl-2-phenyl-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 170364065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).