2,7-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine

C70H55NO2 — CID 174287675

IUPAC2,7-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3c(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5c4oc4ccccc45)cccc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C70H55NO2/c1-67(2,3)46-35-38-50-51-39-36-47(68(4,5)6)42-59(51)70(58(50)41-46)56-29-16-18-34-64(56)73-66-57(70)30-20-32-62(66)71(61-31-19-27-54-53-26-14-17-33-63(53)72-65(54)61)48-37-40-52-49-25-13-15-28-55(49)69(60(52)43-48,44-21-9-7-10-22-44)45-23-11-8-12-24-45/h7-43H,1-6H3
InChIKeyLQIKKOYROOCHGQ-UHFFFAOYSA-N
MW942.22 g/mol
LogP18.48
Rot. Bonds5

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

2,7-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine (PubChem CID 174287675) has the molecular formula C70H55NO2 and a molecular weight of 942.22 g/mol. Its IUPAC name is 2,7-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine.

Molecular Properties

Compound Name2,7-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine
PubChem CID174287675
Molecular FormulaC70H55NO2
Molecular Weight942.22 g/mol
Exact Mass941.42
IUPAC Name2,7-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3c(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5c4oc4ccccc45)cccc31)c1cc(C(C)(C)C)ccc1-2
InChIInChI=1S/C70H55NO2/c1-67(2,3)46-35-38-50-51-39-36-47(68(4,5)6)42-59(51)70(58(50)41-46)56-29-16-18-34-64(56)73-66-57(70)30-20-32-62(66)71(61-31-19-27-54-53-26-14-17-33-63(53)72-65(54)61)48-37-40-52-49-25-13-15-28-55(49)69(60(52)43-48,44-21-9-7-10-22-44)45-23-11-8-12-24-45/h7-43H,1-6H3
InChIKeyLQIKKOYROOCHGQ-UHFFFAOYSA-N
XLogP18.48
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500942.22
LogP ≤ 518.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 174287009
N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)dibenzofuran-4-amine
CID 122675382
2',7'-ditert-butyl-N-(2-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-thioxanthene]-2-amine
CID 174290083
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
N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine
CID 121424846
N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 177114159
N-(4-tert-butylphenyl)-N-(3'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-4-amine
CID 163536549
10-N-dibenzofuran-4-yl-10-N-(9,9-diphenylfluoren-2-yl)-5-N,5-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-5,10-diamine
CID 168855700
N,N-bis(9,9-diphenylfluoren-4-yl)tetraphenylen-2-amine;N-(9,9-diphenylfluoren-4-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-triphenylen-2-yltetraphenylen-2-amine
CID 167668523
10-N-dibenzofuran-4-yl-10-N-(9,9-diphenylfluoren-2-yl)-4-N,4-N-diphenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene-4,10-diamine
CID 168856004

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine?
The IUPAC name of 2,7-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine (CID 174287675) is 2,7-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine.
What is the SMILES notation for 2,7-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine?
The canonical SMILES for 2,7-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3Oc3c(N(c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c4cccc5c4oc4ccccc45)cccc31)c1cc(C(C)(C)C)ccc1-2.
What is the InChIKey of 2,7-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine?
The InChIKey is LQIKKOYROOCHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H55NO2/c1-67(2,3)46-35-38-50-51-39-36-47(68(4,5)6)42-59(51)70(58(50)41-46)56-29-16-18-34-64(56)73-66-57(70)30-20-32-62(66)71(61-31-19-27-54-53-26-14-17-33-63(53)72-65(54)61)48-37-40-52-49-25-13-15-28-55(49)69(60(52)43-48,44-21-9-7-10-22-44)45-23-11-8-12-24-45/h7-43H,1-6H3.
What are the key properties of 2,7-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine?
2,7-ditert-butyl-N-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine has a molecular weight of 942.22 g/mol, XLogP of 18.48, 5 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-dibenzofuran-4-yl-N-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-4'-amine is sourced from PubChem (CID 174287675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).