2,4-diphenyl-6-[4-phenyl-3-(1,1,3,3-tetradeuterio-5,5-dimethylspiro[cyclohexane-2,9'-fluorene]-2'-yl)phenyl]-1,3,5-triazine

C47H39N3 — CID 176825136

IUPAC2,4-diphenyl-6-[4-phenyl-3-(1,1,3,3-tetradeuterio-5,5-dimethylspiro[cyclohexane-2,9'-fluorene]-2'-yl)phenyl]-1,3,5-triazine
SMILES[2H]C1([2H])CC(C)(C)CC([2H])([2H])C12c1ccccc1-c1ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-c3ccccc3)cc12
InChIInChI=1S/C47H39N3/c1-46(2)26-28-47(29-27-46)41-21-13-12-20-38(41)39-25-22-35(31-42(39)47)40-30-36(23-24-37(40)32-14-6-3-7-15-32)45-49-43(33-16-8-4-9-17-33)48-44(50-45)34-18-10-5-11-19-34/h3-25,30-31H,26-29H2,1-2H3/i28D2,29D2
InChIKeyYWSSYMVJAZEIMD-JSAXZSKBSA-N
MW649.87 g/mol
LogP12.07
Rot. Bonds5

About 2,4-diphenyl-6-[4-phenyl-3-(1,1,3,3-tetradeuterio-5,5-dimethylspiro[cyclohexane-2,9'-fluorene]-2'-yl)phenyl]-1,3,5-triazine

2,4-diphenyl-6-[4-phenyl-3-(1,1,3,3-tetradeuterio-5,5-dimethylspiro[cyclohexane-2,9'-fluorene]-2'-yl)phenyl]-1,3,5-triazine (PubChem CID 176825136) has the molecular formula C47H39N3 and a molecular weight of 649.87 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-phenyl-3-(1,1,3,3-tetradeuterio-5,5-dimethylspiro[cyclohexane-2,9'-fluorene]-2'-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-phenyl-3-(1,1,3,3-tetradeuterio-5,5-dimethylspiro[cyclohexane-2,9'-fluorene]-2'-yl)phenyl]-1,3,5-triazine
PubChem CID176825136
Molecular FormulaC47H39N3
Molecular Weight649.87 g/mol
Exact Mass649.34
IUPAC Name2,4-diphenyl-6-[4-phenyl-3-(1,1,3,3-tetradeuterio-5,5-dimethylspiro[cyclohexane-2,9'-fluorene]-2'-yl)phenyl]-1,3,5-triazine
SMILES[2H]C1([2H])CC(C)(C)CC([2H])([2H])C12c1ccccc1-c1ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-c3ccccc3)cc12
InChIInChI=1S/C47H39N3/c1-46(2)26-28-47(29-27-46)41-21-13-12-20-38(41)39-25-22-35(31-42(39)47)40-30-36(23-24-37(40)32-14-6-3-7-15-32)45-49-43(33-16-8-4-9-17-33)48-44(50-45)34-18-10-5-11-19-34/h3-25,30-31H,26-29H2,1-2H3/i28D2,29D2
InChIKeyYWSSYMVJAZEIMD-JSAXZSKBSA-N
XLogP12.07
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.87
LogP ≤ 512.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-diphenyl-6-[4-phenyl-3-(1,1,3,3-tetradeuterio-5,5-dimethylspiro[cyclohexane-2,9'-fluorene]-2'-yl)phenyl]-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

CID 176825215
CID 176825215
2-[4-methyl-3-[3-(1,1,3,3-tetradeuteriospiro[cyclohexane-2,9'-fluorene]-2'-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176825239
2,4-diphenyl-6-[2-[3-(1,1,3,3-tetradeuteriospiro[cyclohexane-2,9'-fluorene]-2'-yl)phenyl]phenyl]-1,3,5-triazine
CID 176825227
2,4-diphenyl-6-[3-(2-phenyl-4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 174327344
2-[4-(9,9-dimethylfluoren-2-yl)-3-phenylphenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 146187818
2-[2-methyl-4-(1,1,3,3-tetradeuteriospiro[cyclohexane-2,9'-fluorene]-2'-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176825067
2-[3-[4-(9,9-dimethylfluoren-3-yl)-2-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174327334
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]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159514358
2-phenyl-4-(4-phenylphenyl)-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159556137
2,4-diphenyl-6-[3-(2-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidin-4-yl)phenyl]-1,3,5-triazine
CID 174301372
4-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-6-(3,4-diphenylphenyl)-2-phenylpyrimidine
CID 168779151

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-phenyl-3-(1,1,3,3-tetradeuterio-5,5-dimethylspiro[cyclohexane-2,9'-fluorene]-2'-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[4-phenyl-3-(1,1,3,3-tetradeuterio-5,5-dimethylspiro[cyclohexane-2,9'-fluorene]-2'-yl)phenyl]-1,3,5-triazine (CID 176825136) is 2,4-diphenyl-6-[4-phenyl-3-(1,1,3,3-tetradeuterio-5,5-dimethylspiro[cyclohexane-2,9'-fluorene]-2'-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[4-phenyl-3-(1,1,3,3-tetradeuterio-5,5-dimethylspiro[cyclohexane-2,9'-fluorene]-2'-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[4-phenyl-3-(1,1,3,3-tetradeuterio-5,5-dimethylspiro[cyclohexane-2,9'-fluorene]-2'-yl)phenyl]-1,3,5-triazine is [2H]C1([2H])CC(C)(C)CC([2H])([2H])C12c1ccccc1-c1ccc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-c3ccccc3)cc12.
What is the InChIKey of 2,4-diphenyl-6-[4-phenyl-3-(1,1,3,3-tetradeuterio-5,5-dimethylspiro[cyclohexane-2,9'-fluorene]-2'-yl)phenyl]-1,3,5-triazine?
The InChIKey is YWSSYMVJAZEIMD-JSAXZSKBSA-N. The full InChI is InChI=1S/C47H39N3/c1-46(2)26-28-47(29-27-46)41-21-13-12-20-38(41)39-25-22-35(31-42(39)47)40-30-36(23-24-37(40)32-14-6-3-7-15-32)45-49-43(33-16-8-4-9-17-33)48-44(50-45)34-18-10-5-11-19-34/h3-25,30-31H,26-29H2,1-2H3/i28D2,29D2.
What are the key properties of 2,4-diphenyl-6-[4-phenyl-3-(1,1,3,3-tetradeuterio-5,5-dimethylspiro[cyclohexane-2,9'-fluorene]-2'-yl)phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[4-phenyl-3-(1,1,3,3-tetradeuterio-5,5-dimethylspiro[cyclohexane-2,9'-fluorene]-2'-yl)phenyl]-1,3,5-triazine has a molecular weight of 649.87 g/mol, XLogP of 12.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-phenyl-3-(1,1,3,3-tetradeuterio-5,5-dimethylspiro[cyclohexane-2,9'-fluorene]-2'-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 176825136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).