2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzofuran-2-yl)pyrimidine;2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzothiophen-2-yl)pyrimidine

C92H68N4OS — CID 159948006

IUPAC2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzofuran-2-yl)pyrimidine;2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzothiophen-2-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc4oc5c(-c6ccc7c(c6)-c6ccccc6C76CCCCC6)cccc5c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc4sc5c(-c6ccc7c(c6)-c6ccccc6C76CCCCC6)cccc5c4c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H34N2O.C46H34N2S/c2*1-4-13-30(14-5-1)41-29-42(48-45(47-41)31-15-6-2-7-16-31)33-22-24-43-38(28-33)36-19-12-18-34(44(36)49-43)32-21-23-40-37(27-32)35-17-8-9-20-39(35)46(40)25-10-3-11-26-46/h2*1-2,4-9,12-24,27-29H,3,10-11,25-26H2
InChIKeyOBSSVSPOBWRJAX-UHFFFAOYSA-N
MW1277.65 g/mol
LogP25.02
Rot. Bonds8

About 2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzofuran-2-yl)pyrimidine;2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzothiophen-2-yl)pyrimidine

2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzofuran-2-yl)pyrimidine;2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzothiophen-2-yl)pyrimidine (PubChem CID 159948006) has the molecular formula C92H68N4OS and a molecular weight of 1277.65 g/mol. Its IUPAC name is 2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzofuran-2-yl)pyrimidine;2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzothiophen-2-yl)pyrimidine.

Molecular Properties

Compound Name2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzofuran-2-yl)pyrimidine;2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzothiophen-2-yl)pyrimidine
PubChem CID159948006
Molecular FormulaC92H68N4OS
Molecular Weight1277.65 g/mol
Exact Mass1276.51
IUPAC Name2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzofuran-2-yl)pyrimidine;2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzothiophen-2-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc4oc5c(-c6ccc7c(c6)-c6ccccc6C76CCCCC6)cccc5c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc4sc5c(-c6ccc7c(c6)-c6ccccc6C76CCCCC6)cccc5c4c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C46H34N2O.C46H34N2S/c2*1-4-13-30(14-5-1)41-29-42(48-45(47-41)31-15-6-2-7-16-31)33-22-24-43-38(28-33)36-19-12-18-34(44(36)49-43)32-21-23-40-37(27-32)35-17-8-9-20-39(35)46(40)25-10-3-11-26-46/h2*1-2,4-9,12-24,27-29H,3,10-11,25-26H2
InChIKeyOBSSVSPOBWRJAX-UHFFFAOYSA-N
XLogP25.02
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001277.65
LogP ≤ 525.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzofuran-2-yl)pyrimidine;2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzothiophen-2-yl)pyrimidine with MolForge

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Related Compounds

4-[8-(12',12'-dimethylspiro[cyclohexane-1,6'-indeno[1,2-b]fluorene]-2'-yl)dibenzothiophen-4-yl]-2,6-diphenylpyrimidine
CID 166902505
2,4-diphenyl-6-(8-spiro[cyclohexane-1,9'-fluorene]-1'-yldibenzothiophen-2-yl)pyrimidine
CID 161130364
2-phenyl-4-(4-phenylphenyl)-6-(8-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzofuran-2-yl)pyrimidine
CID 146352222
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine;4-dibenzothiophen-2-yl-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-dibenzothiophen-4-yl-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine
CID 160847317
2-[3-(6-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4,6-diphenylpyrimidine;2,4-diphenyl-6-[3-[6-(8-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(8-phenyldibenzofuran-2-yl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(8-phenyldibenzothiophen-2-yl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[6-(8-phenyldibenzothiophen-2-yl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 158938397
4-dibenzofuran-2-yl-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-dibenzofuran-4-yl-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine;2-(4-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 158434773
5'-[6-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-2-yl]spiro[cyclohexane-1,9'-fluorene]-3'-carbonitrile
CID 171440976
2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-2'-yldibenzothiophen-4-yl)-1,3,5-triazine
CID 149289560
2-dibenzofuran-4-yl-4-phenyl-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 158731147
2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 157181892
2-dibenzofuran-4-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 157181895
2-phenyl-4-(4-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]pyrimidine
CID 159087005

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzofuran-2-yl)pyrimidine;2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzothiophen-2-yl)pyrimidine?
The IUPAC name of 2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzofuran-2-yl)pyrimidine;2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzothiophen-2-yl)pyrimidine (CID 159948006) is 2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzofuran-2-yl)pyrimidine;2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzothiophen-2-yl)pyrimidine.
What is the SMILES notation for 2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzofuran-2-yl)pyrimidine;2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzothiophen-2-yl)pyrimidine?
The canonical SMILES for 2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzofuran-2-yl)pyrimidine;2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzothiophen-2-yl)pyrimidine is c1ccc(-c2cc(-c3ccc4oc5c(-c6ccc7c(c6)-c6ccccc6C76CCCCC6)cccc5c4c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc4sc5c(-c6ccc7c(c6)-c6ccccc6C76CCCCC6)cccc5c4c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzofuran-2-yl)pyrimidine;2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzothiophen-2-yl)pyrimidine?
The InChIKey is OBSSVSPOBWRJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N2O.C46H34N2S/c2*1-4-13-30(14-5-1)41-29-42(48-45(47-41)31-15-6-2-7-16-31)33-22-24-43-38(28-33)36-19-12-18-34(44(36)49-43)32-21-23-40-37(27-32)35-17-8-9-20-39(35)46(40)25-10-3-11-26-46/h2*1-2,4-9,12-24,27-29H,3,10-11,25-26H2.
What are the key properties of 2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzofuran-2-yl)pyrimidine;2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzothiophen-2-yl)pyrimidine?
2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzofuran-2-yl)pyrimidine;2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzothiophen-2-yl)pyrimidine has a molecular weight of 1277.65 g/mol, XLogP of 25.02, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzofuran-2-yl)pyrimidine;2,4-diphenyl-6-(6-spiro[cyclohexane-1,9'-fluorene]-3'-yldibenzothiophen-2-yl)pyrimidine is sourced from PubChem (CID 159948006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).