2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine

C78H69NO2S — CID 174286860

IUPAC2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3O2)c2ccccc2-c2c(N(c3ccc4c(c3)C3(c5ccccc5O4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)c3cccc4sc5ccccc5c34)cccc21
InChIInChI=1S/C78H69NO2S/c1-73(2,3)46-31-36-51-52-37-32-47(74(4,5)6)42-59(52)78(58(51)41-46)56-24-16-17-28-65(56)80-68-40-35-50(45-62(68)78)79(64-27-20-30-70-72(64)54-22-14-18-29-69(54)82-70)63-26-19-25-57-71(63)53-21-13-15-23-55(53)77(57)60-43-48(75(7,8)9)33-38-66(60)81-67-39-34-49(44-61(67)77)76(10,11)12/h13-45H,1-12H3
InChIKeySNCSEKRANOYYCU-UHFFFAOYSA-N
MW1084.48 g/mol
LogP21.65
Rot. Bonds3

About 2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine

2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine (PubChem CID 174286860) has the molecular formula C78H69NO2S and a molecular weight of 1084.48 g/mol. Its IUPAC name is 2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine.

Molecular Properties

Compound Name2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine
PubChem CID174286860
Molecular FormulaC78H69NO2S
Molecular Weight1084.48 g/mol
Exact Mass1083.50
IUPAC Name2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3O2)c2ccccc2-c2c(N(c3ccc4c(c3)C3(c5ccccc5O4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)c3cccc4sc5ccccc5c34)cccc21
InChIInChI=1S/C78H69NO2S/c1-73(2,3)46-31-36-51-52-37-32-47(74(4,5)6)42-59(52)78(58(51)41-46)56-24-16-17-28-65(56)80-68-40-35-50(45-62(68)78)79(64-27-20-30-70-72(64)54-22-14-18-29-69(54)82-70)63-26-19-25-57-71(63)53-21-13-15-23-55(53)77(57)60-43-48(75(7,8)9)33-38-66(60)81-67-39-34-49(44-61(67)77)76(10,11)12/h13-45H,1-12H3
InChIKeySNCSEKRANOYYCU-UHFFFAOYSA-N
XLogP21.65
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001084.48
LogP ≤ 521.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine with MolForge

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Related Compounds

2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174286114
2',7'-ditert-butyl-N-dibenzofuran-4-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 174287136
N-dibenzothiophen-1-yl-N-spiro[fluorene-9,9'-xanthene]-1'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-dibenzothiophen-1-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine;N-dibenzothiophen-1-yl-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-3'-amine
CID 158190990
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475881
2-N-dibenzothiophen-1-yl-1-N,1-N-diphenyl-2-N-spiro[fluorene-9,9'-xanthene]-4-ylbenzene-1,2-diamine
CID 166960048
2,7-ditert-butyl-N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 174282092
2,7-ditert-butyl-N-dibenzothiophen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine
CID 174290586
N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
CID 162771384
2',7'-ditert-butyl-N-(2-carbazol-9-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174291629
N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138475996
N,N-di(spiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476433
2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(2',7'-ditert-butylspiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174287074

Frequently Asked Questions

What is the IUPAC name of 2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine?
The IUPAC name of 2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine (CID 174286860) is 2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine.
What is the SMILES notation for 2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine?
The canonical SMILES for 2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine is CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3O2)c2ccccc2-c2c(N(c3ccc4c(c3)C3(c5ccccc5O4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)c3cccc4sc5ccccc5c34)cccc21.
What is the InChIKey of 2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine?
The InChIKey is SNCSEKRANOYYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H69NO2S/c1-73(2,3)46-31-36-51-52-37-32-47(74(4,5)6)42-59(52)78(58(51)41-46)56-24-16-17-28-65(56)80-68-40-35-50(45-62(68)78)79(64-27-20-30-70-72(64)54-22-14-18-29-69(54)82-70)63-26-19-25-57-71(63)53-21-13-15-23-55(53)77(57)60-43-48(75(7,8)9)33-38-66(60)81-67-39-34-49(44-61(67)77)76(10,11)12/h13-45H,1-12H3.
What are the key properties of 2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine?
2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine has a molecular weight of 1084.48 g/mol, XLogP of 21.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine is sourced from PubChem (CID 174286860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).