2-phenyl-4-(4-phenylphenyl)-6-(7-spiro[cyclohexane-1,9'-fluorene]-1'-yldibenzothiophen-3-yl)-1,3,5-triazine

C51H37N3S — CID 160597973

IUPAC2-phenyl-4-(4-phenylphenyl)-6-(7-spiro[cyclohexane-1,9'-fluorene]-1'-yldibenzothiophen-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)sc4cc(-c6cccc7c6C6(CCCCC6)c6ccccc6-7)ccc45)n3)cc2)cc1
InChIInChI=1S/C51H37N3S/c1-4-13-33(14-5-1)34-21-23-36(24-22-34)49-52-48(35-15-6-2-7-16-35)53-50(54-49)38-26-28-42-41-27-25-37(31-45(41)55-46(42)32-38)39-18-12-19-43-40-17-8-9-20-44(40)51(47(39)43)29-10-3-11-30-51/h1-2,4-9,12-28,31-32H,3,10-11,29-30H2
InChIKeyINSUNJYWWUPDOO-UHFFFAOYSA-N
MW723.95 g/mol
LogP13.81
Rot. Bonds5

About 2-phenyl-4-(4-phenylphenyl)-6-(7-spiro[cyclohexane-1,9'-fluorene]-1'-yldibenzothiophen-3-yl)-1,3,5-triazine

2-phenyl-4-(4-phenylphenyl)-6-(7-spiro[cyclohexane-1,9'-fluorene]-1'-yldibenzothiophen-3-yl)-1,3,5-triazine (PubChem CID 160597973) has the molecular formula C51H37N3S and a molecular weight of 723.95 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenyl)-6-(7-spiro[cyclohexane-1,9'-fluorene]-1'-yldibenzothiophen-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(4-phenylphenyl)-6-(7-spiro[cyclohexane-1,9'-fluorene]-1'-yldibenzothiophen-3-yl)-1,3,5-triazine
PubChem CID160597973
Molecular FormulaC51H37N3S
Molecular Weight723.95 g/mol
Exact Mass723.27
IUPAC Name2-phenyl-4-(4-phenylphenyl)-6-(7-spiro[cyclohexane-1,9'-fluorene]-1'-yldibenzothiophen-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)sc4cc(-c6cccc7c6C6(CCCCC6)c6ccccc6-7)ccc45)n3)cc2)cc1
InChIInChI=1S/C51H37N3S/c1-4-13-33(14-5-1)34-21-23-36(24-22-34)49-52-48(35-15-6-2-7-16-35)53-50(54-49)38-26-28-42-41-27-25-37(31-45(41)55-46(42)32-38)39-18-12-19-43-40-17-8-9-20-44(40)51(47(39)43)29-10-3-11-30-51/h1-2,4-9,12-28,31-32H,3,10-11,29-30H2
InChIKeyINSUNJYWWUPDOO-UHFFFAOYSA-N
XLogP13.81
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.95
LogP ≤ 513.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-4-(4-phenylphenyl)-6-(7-spiro[cyclohexane-1,9'-fluorene]-1'-yldibenzothiophen-3-yl)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenyl-4-(3-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 158169777
2,4-diphenyl-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 161432932
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)phenyl]-1,3,5-triazine
CID 158141122
2,4-diphenyl-6-(8-spiro[cyclohexane-1,9'-fluorene]-1'-yldibenzothiophen-2-yl)pyrimidine
CID 161130364
2-phenyl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 159855157
2,4-diphenyl-6-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)pyrimidine
CID 161309935
2,4-diphenyl-6-(8-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzofuran-2-yl)-1,3,5-triazine;2,4-diphenyl-6-(7-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzothiophen-3-yl)-1,3,5-triazine;2,4-diphenyl-6-(8-spiro[cyclohexane-1,9'-fluorene]-4'-yldibenzothiophen-2-yl)-1,3,5-triazine
CID 159965592
2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine
CID 159683427
2-phenyl-4-(4-phenylphenyl)-6-[3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 146352321
2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 160674553
2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 162137850
2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159514358

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-(7-spiro[cyclohexane-1,9'-fluorene]-1'-yldibenzothiophen-3-yl)-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-(7-spiro[cyclohexane-1,9'-fluorene]-1'-yldibenzothiophen-3-yl)-1,3,5-triazine (CID 160597973) is 2-phenyl-4-(4-phenylphenyl)-6-(7-spiro[cyclohexane-1,9'-fluorene]-1'-yldibenzothiophen-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(4-phenylphenyl)-6-(7-spiro[cyclohexane-1,9'-fluorene]-1'-yldibenzothiophen-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(4-phenylphenyl)-6-(7-spiro[cyclohexane-1,9'-fluorene]-1'-yldibenzothiophen-3-yl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)sc4cc(-c6cccc7c6C6(CCCCC6)c6ccccc6-7)ccc45)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-4-(4-phenylphenyl)-6-(7-spiro[cyclohexane-1,9'-fluorene]-1'-yldibenzothiophen-3-yl)-1,3,5-triazine?
The InChIKey is INSUNJYWWUPDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N3S/c1-4-13-33(14-5-1)34-21-23-36(24-22-34)49-52-48(35-15-6-2-7-16-35)53-50(54-49)38-26-28-42-41-27-25-37(31-45(41)55-46(42)32-38)39-18-12-19-43-40-17-8-9-20-44(40)51(47(39)43)29-10-3-11-30-51/h1-2,4-9,12-28,31-32H,3,10-11,29-30H2.
What are the key properties of 2-phenyl-4-(4-phenylphenyl)-6-(7-spiro[cyclohexane-1,9'-fluorene]-1'-yldibenzothiophen-3-yl)-1,3,5-triazine?
2-phenyl-4-(4-phenylphenyl)-6-(7-spiro[cyclohexane-1,9'-fluorene]-1'-yldibenzothiophen-3-yl)-1,3,5-triazine has a molecular weight of 723.95 g/mol, XLogP of 13.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-phenylphenyl)-6-(7-spiro[cyclohexane-1,9'-fluorene]-1'-yldibenzothiophen-3-yl)-1,3,5-triazine is sourced from PubChem (CID 160597973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).