2,7-ditert-butyl-N-(2-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine

C74H57NOS — CID 174282244

IUPAC2,7-ditert-butyl-N-(2-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3ccc(N(c4ccc5c(c4)C4(c6ccccc6Sc6ccccc64)c4ccccc4-5)c4ccccc4-c4cccc5ccccc45)cc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C74H57NOS/c1-71(2,3)47-34-38-54-55-39-35-48(72(4,5)6)43-63(55)74(62(54)42-47)59-27-12-16-31-67(59)76-68-41-37-50(45-65(68)74)75(66-30-15-10-24-57(66)52-25-19-21-46-20-7-8-22-51(46)52)49-36-40-56-53-23-9-11-26-58(53)73(64(56)44-49)60-28-13-17-32-69(60)77-70-33-18-14-29-61(70)73/h7-45H,1-6H3
InChIKeyPBRRMANGHMQTHQ-UHFFFAOYSA-N
MW1008.34 g/mol
LogP19.87
Rot. Bonds4

About 2,7-ditert-butyl-N-(2-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine

2,7-ditert-butyl-N-(2-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine (PubChem CID 174282244) has the molecular formula C74H57NOS and a molecular weight of 1008.34 g/mol. Its IUPAC name is 2,7-ditert-butyl-N-(2-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine.

Molecular Properties

Compound Name2,7-ditert-butyl-N-(2-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine
PubChem CID174282244
Molecular FormulaC74H57NOS
Molecular Weight1008.34 g/mol
Exact Mass1007.42
IUPAC Name2,7-ditert-butyl-N-(2-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3ccc(N(c4ccc5c(c4)C4(c6ccccc6Sc6ccccc64)c4ccccc4-5)c4ccccc4-c4cccc5ccccc45)cc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C74H57NOS/c1-71(2,3)47-34-38-54-55-39-35-48(72(4,5)6)43-63(55)74(62(54)42-47)59-27-12-16-31-67(59)76-68-41-37-50(45-65(68)74)75(66-30-15-10-24-57(66)52-25-19-21-46-20-7-8-22-51(46)52)49-36-40-56-53-23-9-11-26-58(53)73(64(56)44-49)60-28-13-17-32-69(60)77-70-33-18-14-29-61(70)73/h7-45H,1-6H3
InChIKeyPBRRMANGHMQTHQ-UHFFFAOYSA-N
XLogP19.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001008.34
LogP ≤ 519.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-4-methyl-N-(2-naphthalen-1-ylphenyl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 174280707
2,7-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine
CID 174283536
2,7-ditert-butyl-N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 174281956
2,7-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4'-amine
CID 174287674
N-naphthalen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476176
N-(2',7'-ditert-butylspiro[fluorene-9,9'-thioxanthene]-2-yl)-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 174285700
3-tert-butyl-N-(6-naphthalen-1-ylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-2'-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 164707122
N-(2,7-ditert-butylspiro[fluorene-9,9'-thioxanthene]-2'-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenylxanthen-2-amine
CID 174285355
2-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-4'-yl)-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 174293743
N-(4-naphthalen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 170116159
2,7-ditert-butyl-N-dibenzothiophen-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2'-amine
CID 174290586

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-N-(2-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
The IUPAC name of 2,7-ditert-butyl-N-(2-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine (CID 174282244) is 2,7-ditert-butyl-N-(2-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine.
What is the SMILES notation for 2,7-ditert-butyl-N-(2-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
The canonical SMILES for 2,7-ditert-butyl-N-(2-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3ccc(N(c4ccc5c(c4)C4(c6ccccc6Sc6ccccc64)c4ccccc4-5)c4ccccc4-c4cccc5ccccc45)cc31)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 2,7-ditert-butyl-N-(2-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
The InChIKey is PBRRMANGHMQTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H57NOS/c1-71(2,3)47-34-38-54-55-39-35-48(72(4,5)6)43-63(55)74(62(54)42-47)59-27-12-16-31-67(59)76-68-41-37-50(45-65(68)74)75(66-30-15-10-24-57(66)52-25-19-21-46-20-7-8-22-51(46)52)49-36-40-56-53-23-9-11-26-58(53)73(64(56)44-49)60-28-13-17-32-69(60)77-70-33-18-14-29-61(70)73/h7-45H,1-6H3.
What are the key properties of 2,7-ditert-butyl-N-(2-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine?
2,7-ditert-butyl-N-(2-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine has a molecular weight of 1008.34 g/mol, XLogP of 19.87, 4 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-(2-naphthalen-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine is sourced from PubChem (CID 174282244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).