2',7'-ditert-butyl-N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-4'-amine

C69H53NO2 — CID 170535488

IUPAC2',7'-ditert-butyl-N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-4'-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C(C)(C)C)cc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c1-2
InChIInChI=1S/C69H53NO2/c1-67(2,3)44-33-38-56-59(39-44)69(57-25-11-7-17-50(57)51-18-8-12-26-58(51)69)60-40-45(68(4,5)6)41-61(64(56)60)70(46-34-29-42(30-35-46)48-21-15-23-54-52-19-9-13-27-62(52)71-65(48)54)47-36-31-43(32-37-47)49-22-16-24-55-53-20-10-14-28-63(53)72-66(49)55/h7-41H,1-6H3
InChIKeyJXUAGHLSUPMEAK-UHFFFAOYSA-N
MW928.19 g/mol
LogP19.23
Rot. Bonds5

About 2',7'-ditert-butyl-N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-4'-amine

2',7'-ditert-butyl-N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-4'-amine (PubChem CID 170535488) has the molecular formula C69H53NO2 and a molecular weight of 928.19 g/mol. Its IUPAC name is 2',7'-ditert-butyl-N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-4'-amine.

Molecular Properties

Compound Name2',7'-ditert-butyl-N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-4'-amine
PubChem CID170535488
Molecular FormulaC69H53NO2
Molecular Weight928.19 g/mol
Exact Mass927.41
IUPAC Name2',7'-ditert-butyl-N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-4'-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C(C)(C)C)cc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c1-2
InChIInChI=1S/C69H53NO2/c1-67(2,3)44-33-38-56-59(39-44)69(57-25-11-7-17-50(57)51-18-8-12-26-58(51)69)60-40-45(68(4,5)6)41-61(64(56)60)70(46-34-29-42(30-35-46)48-21-15-23-54-52-19-9-13-27-62(52)71-65(48)54)47-36-31-43(32-37-47)49-22-16-24-55-53-20-10-14-28-63(53)72-66(49)55/h7-41H,1-6H3
InChIKeyJXUAGHLSUPMEAK-UHFFFAOYSA-N
XLogP19.23
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.19
LogP ≤ 519.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,7-ditert-butyl-9-(4-dibenzofuran-4-ylphenyl)-N,N-bis(9,9-dimethylfluoren-2-yl)-9-phenylfluoren-4-amine
CID 154955026
2'-tert-butyl-N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4'-amine
CID 167056821
N-(4-dibenzofuran-4-ylphenyl)-4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-1-yl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 170421354
N-(4-dibenzofuran-4-ylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 170421380
9,9-bis(4-tert-butylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 158201321
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-(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-dibenzofuran-4-ylphenyl)-N-[4-(trifluoromethyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298418
N-(4-dibenzofuran-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 130308817
N-(4-dibenzofuran-4-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 138476214
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 170421476
N-(4-tert-butylphenyl)-N-(3'-dibenzofuran-4-yl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-4-amine
CID 163536549

Frequently Asked Questions

What is the IUPAC name of 2',7'-ditert-butyl-N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-4'-amine?
The IUPAC name of 2',7'-ditert-butyl-N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-4'-amine (CID 170535488) is 2',7'-ditert-butyl-N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-4'-amine.
What is the SMILES notation for 2',7'-ditert-butyl-N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-4'-amine?
The canonical SMILES for 2',7'-ditert-butyl-N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-4'-amine is CC(C)(C)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C(C)(C)C)cc(N(c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)c1-2.
What is the InChIKey of 2',7'-ditert-butyl-N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-4'-amine?
The InChIKey is JXUAGHLSUPMEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H53NO2/c1-67(2,3)44-33-38-56-59(39-44)69(57-25-11-7-17-50(57)51-18-8-12-26-58(51)69)60-40-45(68(4,5)6)41-61(64(56)60)70(46-34-29-42(30-35-46)48-21-15-23-54-52-19-9-13-27-62(52)71-65(48)54)47-36-31-43(32-37-47)49-22-16-24-55-53-20-10-14-28-63(53)72-66(49)55/h7-41H,1-6H3.
What are the key properties of 2',7'-ditert-butyl-N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-4'-amine?
2',7'-ditert-butyl-N,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-4'-amine has a molecular weight of 928.19 g/mol, XLogP of 19.23, 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,N-bis(4-dibenzofuran-4-ylphenyl)-9,9'-spirobi[fluorene]-4'-amine is sourced from PubChem (CID 170535488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).