2-[(1E)-1-[(2E)-2-ethylidene-5-(7-phenyldibenzothiophen-1-yl)-1-benzofuran-3-ylidene]prop-2-enyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

C52H35N3OS — CID 156642996

IUPAC2-[(1E)-1-[(2E)-2-ethylidene-5-(7-phenyldibenzothiophen-1-yl)-1-benzofuran-3-ylidene]prop-2-enyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESC=C/C(c1nc(-c2ccccc2)nc(-c2cccc(-c3ccccc3)c2)n1)=c1\c(=C/C)oc2ccc(-c3cccc4sc5cc(-c6ccccc6)ccc5c34)cc12
InChIInChI=1S/C52H35N3OS/c1-3-40(52-54-50(35-20-12-7-13-21-35)53-51(55-52)39-23-14-22-36(30-39)33-16-8-5-9-17-33)48-43-31-38(27-29-45(43)56-44(48)4-2)41-24-15-25-46-49(41)42-28-26-37(32-47(42)57-46)34-18-10-6-11-19-34/h3-32H,1H2,2H3/b44-4+,48-40+
InChIKeyHLUJAMCTAFSMKT-ZPNSFXEGSA-N
MW749.94 g/mol
LogP12.51
Rot. Bonds7

About 2-[(1E)-1-[(2E)-2-ethylidene-5-(7-phenyldibenzothiophen-1-yl)-1-benzofuran-3-ylidene]prop-2-enyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine

2-[(1E)-1-[(2E)-2-ethylidene-5-(7-phenyldibenzothiophen-1-yl)-1-benzofuran-3-ylidene]prop-2-enyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 156642996) has the molecular formula C52H35N3OS and a molecular weight of 749.94 g/mol. Its IUPAC name is 2-[(1E)-1-[(2E)-2-ethylidene-5-(7-phenyldibenzothiophen-1-yl)-1-benzofuran-3-ylidene]prop-2-enyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[(1E)-1-[(2E)-2-ethylidene-5-(7-phenyldibenzothiophen-1-yl)-1-benzofuran-3-ylidene]prop-2-enyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID156642996
Molecular FormulaC52H35N3OS
Molecular Weight749.94 g/mol
Exact Mass749.25
IUPAC Name2-[(1E)-1-[(2E)-2-ethylidene-5-(7-phenyldibenzothiophen-1-yl)-1-benzofuran-3-ylidene]prop-2-enyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
SMILESC=C/C(c1nc(-c2ccccc2)nc(-c2cccc(-c3ccccc3)c2)n1)=c1\c(=C/C)oc2ccc(-c3cccc4sc5cc(-c6ccccc6)ccc5c34)cc12
InChIInChI=1S/C52H35N3OS/c1-3-40(52-54-50(35-20-12-7-13-21-35)53-51(55-52)39-23-14-22-36(30-39)33-16-8-5-9-17-33)48-43-31-38(27-29-45(43)56-44(48)4-2)41-24-15-25-46-49(41)42-28-26-37(32-47(42)57-46)34-18-10-6-11-19-34/h3-32H,1H2,2H3/b44-4+,48-40+
InChIKeyHLUJAMCTAFSMKT-ZPNSFXEGSA-N
XLogP12.51
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.94
LogP ≤ 512.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(1E)-1-[(2E)-2-ethylidene-5-(7-phenyldibenzothiophen-1-yl)-1-benzofuran-3-ylidene]prop-2-enyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

9-[3-[4-[(1E)-1-[(2E)-5-[4-(8H-cyclohepta[b][1]benzothiol-3-yl)dibenzofuran-1-yl]-2-ethylidene-1-benzofuran-3-ylidene]prop-2-enyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 156643399
2-dibenzofuran-1-yl-4-phenyl-6-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 155328942
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 164797872
2-[3-(8-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,3,5-triazine
CID 156706459
2-dibenzofuran-1-yl-4-[(1E)-1-[(2E)-2-ethylidene-5-[4-[9-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-9-phenylfluoren-2-yl]phenyl]-1-benzofuran-3-ylidene]prop-2-enyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 153369115
2-dibenzothiophen-1-yl-4-phenyl-6-[3-[8-(2-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 161021591
2-dibenzofuran-3-yl-4-phenyl-6-[7-(3-phenylphenyl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 171414981
2,4-bis(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 164797737
2-dibenzothiophen-1-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134198711
2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166742649
2-(9-dibenzothiophen-1-yldibenzothiophen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155377527
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 166742090

Frequently Asked Questions

What is the IUPAC name of 2-[(1E)-1-[(2E)-2-ethylidene-5-(7-phenyldibenzothiophen-1-yl)-1-benzofuran-3-ylidene]prop-2-enyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[(1E)-1-[(2E)-2-ethylidene-5-(7-phenyldibenzothiophen-1-yl)-1-benzofuran-3-ylidene]prop-2-enyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine (CID 156642996) is 2-[(1E)-1-[(2E)-2-ethylidene-5-(7-phenyldibenzothiophen-1-yl)-1-benzofuran-3-ylidene]prop-2-enyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[(1E)-1-[(2E)-2-ethylidene-5-(7-phenyldibenzothiophen-1-yl)-1-benzofuran-3-ylidene]prop-2-enyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[(1E)-1-[(2E)-2-ethylidene-5-(7-phenyldibenzothiophen-1-yl)-1-benzofuran-3-ylidene]prop-2-enyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is C=C/C(c1nc(-c2ccccc2)nc(-c2cccc(-c3ccccc3)c2)n1)=c1\c(=C/C)oc2ccc(-c3cccc4sc5cc(-c6ccccc6)ccc5c34)cc12.
What is the InChIKey of 2-[(1E)-1-[(2E)-2-ethylidene-5-(7-phenyldibenzothiophen-1-yl)-1-benzofuran-3-ylidene]prop-2-enyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is HLUJAMCTAFSMKT-ZPNSFXEGSA-N. The full InChI is InChI=1S/C52H35N3OS/c1-3-40(52-54-50(35-20-12-7-13-21-35)53-51(55-52)39-23-14-22-36(30-39)33-16-8-5-9-17-33)48-43-31-38(27-29-45(43)56-44(48)4-2)41-24-15-25-46-49(41)42-28-26-37(32-47(42)57-46)34-18-10-6-11-19-34/h3-32H,1H2,2H3/b44-4+,48-40+.
What are the key properties of 2-[(1E)-1-[(2E)-2-ethylidene-5-(7-phenyldibenzothiophen-1-yl)-1-benzofuran-3-ylidene]prop-2-enyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine?
2-[(1E)-1-[(2E)-2-ethylidene-5-(7-phenyldibenzothiophen-1-yl)-1-benzofuran-3-ylidene]prop-2-enyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 749.94 g/mol, XLogP of 12.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E)-1-[(2E)-2-ethylidene-5-(7-phenyldibenzothiophen-1-yl)-1-benzofuran-3-ylidene]prop-2-enyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 156642996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).