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

C78H69NO3 — CID 174287136

IUPAC2',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
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)c3cccc4c3oc3ccccc34)cccc21
InChIInChI=1S/C78H69NO3/c1-73(2,3)46-31-36-51-52-37-32-47(74(4,5)6)42-60(52)78(59(51)41-46)57-25-16-18-30-67(57)80-70-40-35-50(45-63(70)78)79(65-28-19-23-54-53-21-14-17-29-66(53)82-72(54)65)64-27-20-26-58-71(64)55-22-13-15-24-56(55)77(58)61-43-48(75(7,8)9)33-38-68(61)81-69-39-34-49(44-62(69)77)76(10,11)12/h13-45H,1-12H3
InChIKeyAJQWEGYAJHQEJQ-UHFFFAOYSA-N
MW1068.41 g/mol
LogP21.18
Rot. Bonds3

About 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

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 (PubChem CID 174287136) has the molecular formula C78H69NO3 and a molecular weight of 1068.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2',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
PubChem CID174287136
Molecular FormulaC78H69NO3
Molecular Weight1068.41 g/mol
Exact Mass1067.53
IUPAC Name2',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
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)c3cccc4c3oc3ccccc34)cccc21
InChIInChI=1S/C78H69NO3/c1-73(2,3)46-31-36-51-52-37-32-47(74(4,5)6)42-60(52)78(59(51)41-46)57-25-16-18-30-67(57)80-70-40-35-50(45-63(70)78)79(65-28-19-23-54-53-21-14-17-29-66(53)82-72(54)65)64-27-20-26-58-71(64)55-22-13-15-24-56(55)77(58)61-43-48(75(7,8)9)33-38-68(61)81-69-39-34-49(44-62(69)77)76(10,11)12/h13-45H,1-12H3
InChIKeyAJQWEGYAJHQEJQ-UHFFFAOYSA-N
XLogP21.18
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001068.41
LogP ≤ 521.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 174287009
2,7-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine
CID 174287675
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915337
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-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 171444535
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476554
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[2,1-b][1]benzofuran-8-amine
CID 171730572
2,7-ditert-butyl-N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 174282092
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine;2-N'-(9,9-dimethylfluoren-2-yl)-2-N',4-N,4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-(9,9-dimethylfluoren-2-yl)-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 161205657
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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)c3cccc4c3oc3ccccc34)cccc21.
What is the InChIKey of 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?
The InChIKey is AJQWEGYAJHQEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H69NO3/c1-73(2,3)46-31-36-51-52-37-32-47(74(4,5)6)42-60(52)78(59(51)41-46)57-25-16-18-30-67(57)80-70-40-35-50(45-63(70)78)79(65-28-19-23-54-53-21-14-17-29-66(53)82-72(54)65)64-27-20-26-58-71(64)55-22-13-15-24-56(55)77(58)61-43-48(75(7,8)9)33-38-68(61)81-69-39-34-49(44-62(69)77)76(10,11)12/h13-45H,1-12H3.
What are the key properties of 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?
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 has a molecular weight of 1068.41 g/mol, XLogP of 21.18, 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-dibenzofuran-4-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine is sourced from PubChem (CID 174287136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).