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

C81H75NO — CID 174284182

IUPAC2',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
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3O2)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)cc21
InChIInChI=1S/C81H75NO/c1-75(2,3)48-27-34-59-60-35-28-49(76(4,5)6)42-68(60)80(67(59)41-48)64-25-19-16-22-56(64)61-37-32-53(46-69(61)80)82(52-31-36-58-55-21-15-18-24-63(55)79(13,14)66(58)45-52)54-33-38-62-57-23-17-20-26-65(57)81(70(62)47-54)71-43-50(77(7,8)9)29-39-73(71)83-74-40-30-51(44-72(74)81)78(10,11)12/h15-47H,1-14H3
InChIKeyBHZYYMYHWNCBGY-UHFFFAOYSA-N
MW1078.50 g/mol
LogP21.47
Rot. Bonds3

About 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

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 (PubChem CID 174284182) has the molecular formula C81H75NO and a molecular weight of 1078.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2',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
PubChem CID174284182
Molecular FormulaC81H75NO
Molecular Weight1078.50 g/mol
Exact Mass1077.58
IUPAC Name2',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
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3O2)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)cc21
InChIInChI=1S/C81H75NO/c1-75(2,3)48-27-34-59-60-35-28-49(76(4,5)6)42-68(60)80(67(59)41-48)64-25-19-16-22-56(64)61-37-32-53(46-69(61)80)82(52-31-36-58-55-21-15-18-24-63(55)79(13,14)66(58)45-52)54-33-38-62-57-23-17-20-26-65(57)81(70(62)47-54)71-43-50(77(7,8)9)29-39-73(71)83-74-40-30-51(44-72(74)81)78(10,11)12/h15-47H,1-14H3
InChIKeyBHZYYMYHWNCBGY-UHFFFAOYSA-N
XLogP21.47
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001078.50
LogP ≤ 521.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174279588
2',7'-ditert-butyl-N,N-bis(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174284062
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476546
N-(5'-tert-butyl-12',12'-dimethylspiro[fluorene-9,8'-tetracyclo[7.5.0.02,7.011,13]tetradeca-1(14),2(7),3,5,9,11(13)-hexaene]-2-yl)-N-phenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 118446636
2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174286114
N-(2,7-ditert-butylspiro[fluorene-9,9'-thioxanthene]-2'-yl)-N-(9,9-dimethylfluoren-2-yl)-9,9-diphenylxanthen-2-amine
CID 174285355
2,7-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-(9,9-dimethylfluoren-2-yl)-N-[4-(2-methylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 177124718
2',7'-ditert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-1-amine
CID 142508986
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-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 142508836
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3O2)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccc4c(c3)C3(c5ccccc5-4)c4cc(C(C)(C)C)ccc4-c4ccc(C(C)(C)C)cc43)cc21.
What is the InChIKey of 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?
The InChIKey is BHZYYMYHWNCBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H75NO/c1-75(2,3)48-27-34-59-60-35-28-49(76(4,5)6)42-68(60)80(67(59)41-48)64-25-19-16-22-56(64)61-37-32-53(46-69(61)80)82(52-31-36-58-55-21-15-18-24-63(55)79(13,14)66(58)45-52)54-33-38-62-57-23-17-20-26-65(57)81(70(62)47-54)71-43-50(77(7,8)9)29-39-73(71)83-74-40-30-51(44-72(74)81)78(10,11)12/h15-47H,1-14H3.
What are the key properties of 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?
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 has a molecular weight of 1078.50 g/mol, XLogP of 21.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174284182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).