2,4-diphenyl-6-(2-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine

C39H31N3 — CID 160857119

IUPAC2,4-diphenyl-6-(2-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cccc4c3C3(CCCCC3)c3ccccc3-4)n2)cc1
InChIInChI=1S/C39H31N3/c1-4-15-27(16-5-1)36-40-37(28-17-6-2-7-18-28)42-38(41-36)33-21-9-8-19-29(33)31-22-14-23-32-30-20-10-11-24-34(30)39(35(31)32)25-12-3-13-26-39/h1-2,4-11,14-24H,3,12-13,25-26H2
InChIKeyWRTPVBCILWZKLG-UHFFFAOYSA-N
MW541.70 g/mol
LogP9.77
Rot. Bonds4

About 2,4-diphenyl-6-(2-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine

2,4-diphenyl-6-(2-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine (PubChem CID 160857119) has the molecular formula C39H31N3 and a molecular weight of 541.70 g/mol. Its IUPAC name is 2,4-diphenyl-6-(2-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-(2-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine
PubChem CID160857119
Molecular FormulaC39H31N3
Molecular Weight541.70 g/mol
Exact Mass541.25
IUPAC Name2,4-diphenyl-6-(2-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cccc4c3C3(CCCCC3)c3ccccc3-4)n2)cc1
InChIInChI=1S/C39H31N3/c1-4-15-27(16-5-1)36-40-37(28-17-6-2-7-18-28)42-38(41-36)33-21-9-8-19-29(33)31-22-14-23-32-30-20-10-11-24-34(30)39(35(31)32)25-12-3-13-26-39/h1-2,4-11,14-24H,3,12-13,25-26H2
InChIKeyWRTPVBCILWZKLG-UHFFFAOYSA-N
XLogP9.77
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.70
LogP ≤ 59.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-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-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)pyrimidine
CID 161309935
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-phenyl-4-(4-phenylphenyl)-6-[4-[3-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159202142
2-phenyl-4-(4-phenylphenyl)-6-(7-spiro[cyclohexane-1,9'-fluorene]-1'-yldibenzothiophen-3-yl)-1,3,5-triazine
CID 160597973
2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 162137850
2,4-diphenyl-6-[3-[3-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 160674553
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-(2-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-2'-ylpyrimidin-4-yl)phenyl]-1,3,5-triazine
CID 174301372
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 2,4-diphenyl-6-(2-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-(2-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine (CID 160857119) is 2,4-diphenyl-6-(2-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-(2-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-(2-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cccc4c3C3(CCCCC3)c3ccccc3-4)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(2-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine?
The InChIKey is WRTPVBCILWZKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31N3/c1-4-15-27(16-5-1)36-40-37(28-17-6-2-7-18-28)42-38(41-36)33-21-9-8-19-29(33)31-22-14-23-32-30-20-10-11-24-34(30)39(35(31)32)25-12-3-13-26-39/h1-2,4-11,14-24H,3,12-13,25-26H2.
What are the key properties of 2,4-diphenyl-6-(2-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine?
2,4-diphenyl-6-(2-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine has a molecular weight of 541.70 g/mol, XLogP of 9.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(2-spiro[cyclohexane-1,9'-fluorene]-1'-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 160857119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).