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

C60H51NOS — CID 174286114

IUPAC2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3O2)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4sc5ccccc5c34)cc21
InChIInChI=1S/C60H51NOS/c1-57(2,3)36-24-30-52-49(32-36)60(50-33-37(58(4,5)6)25-31-53(50)62-52)46-20-13-10-17-41(46)43-29-27-39(35-48(43)60)61(51-21-15-23-55-56(51)44-18-11-14-22-54(44)63-55)38-26-28-42-40-16-9-12-19-45(40)59(7,8)47(42)34-38/h9-35H,1-8H3
InChIKeyIJXIDKLZUDWFSM-UHFFFAOYSA-N
MW834.14 g/mol
LogP16.89
Rot. Bonds3

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

2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 174286114) has the molecular formula C60H51NOS and a molecular weight of 834.14 g/mol. Its IUPAC name is 2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound Name2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID174286114
Molecular FormulaC60H51NOS
Molecular Weight834.14 g/mol
Exact Mass833.37
IUPAC Name2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3O2)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4sc5ccccc5c34)cc21
InChIInChI=1S/C60H51NOS/c1-57(2,3)36-24-30-52-49(32-36)60(50-33-37(58(4,5)6)25-31-53(50)62-52)46-20-13-10-17-41(46)43-29-27-39(35-48(43)60)61(51-21-15-23-55-56(51)44-18-11-14-22-54(44)63-55)38-26-28-42-40-16-9-12-19-45(40)59(7,8)47(42)34-38/h9-35H,1-8H3
InChIKeyIJXIDKLZUDWFSM-UHFFFAOYSA-N
XLogP16.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.14
LogP ≤ 516.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
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',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174284182
2,7-ditert-butyl-N-dibenzothiophen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine
CID 174290586
2,7-ditert-butyl-N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 174282092
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
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174279588
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 90154222
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9-dimethylfluoren-2-yl)naphtho[2,1-b][1]benzothiol-6-amine
CID 171444456
N-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N-phenyldibenzothiophen-1-amine
CID 156664835
2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine
CID 142508986
N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzothiophen-1-amine
CID 135229601

Frequently Asked Questions

What is the IUPAC name of 2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of 2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine (CID 174286114) is 2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for 2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for 2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine is CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3O2)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cccc4sc5ccccc5c34)cc21.
What is the InChIKey of 2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is IJXIDKLZUDWFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H51NOS/c1-57(2,3)36-24-30-52-49(32-36)60(50-33-37(58(4,5)6)25-31-53(50)62-52)46-20-13-10-17-41(46)43-29-27-39(35-48(43)60)61(51-21-15-23-55-56(51)44-18-11-14-22-54(44)63-55)38-26-28-42-40-16-9-12-19-45(40)59(7,8)47(42)34-38/h9-35H,1-8H3.
What are the key properties of 2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine?
2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 834.14 g/mol, XLogP of 16.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 174286114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).