N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine

C58H39NO — CID 129267011

IUPACN-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C58H39NO/c1-57(2)47-19-8-3-14-40(47)43-33-31-39(35-52(43)57)59(38-29-26-36(27-30-38)37-28-32-45-44-17-7-12-25-54(44)60-55(45)34-37)53-24-13-23-51-56(53)46-18-6-11-22-50(46)58(51)48-20-9-4-15-41(48)42-16-5-10-21-49(42)58/h3-35H,1-2H3
InChIKeyPYUNQVPMGNWFLB-UHFFFAOYSA-N
MW765.96 g/mol
LogP15.37
Rot. Bonds4

About N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine

N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine (PubChem CID 129267011) has the molecular formula C58H39NO and a molecular weight of 765.96 g/mol. Its IUPAC name is N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
PubChem CID129267011
Molecular FormulaC58H39NO
Molecular Weight765.96 g/mol
Exact Mass765.30
IUPAC NameN-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C58H39NO/c1-57(2)47-19-8-3-14-40(47)43-33-31-39(35-52(43)57)59(38-29-26-36(27-30-38)37-28-32-45-44-17-7-12-25-54(44)60-55(45)34-37)53-24-13-23-51-56(53)46-18-6-11-22-50(46)58(51)48-20-9-4-15-41(48)42-16-5-10-21-49(42)58/h3-35H,1-2H3
InChIKeyPYUNQVPMGNWFLB-UHFFFAOYSA-N
XLogP15.37
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.96
LogP ≤ 515.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzofuran-3-ylphenyl)-9,9-dimethyl-N-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]fluoren-2-amine
CID 138462029
N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-2-amine
CID 164990095
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6,6,12,12-tetramethyl-9-phenylindeno[1,2-b]fluoren-2-amine
CID 138455866
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yldibenzofuran-1-amine
CID 130263964
N-[2-dibenzofuran-3-yl-3-(3-phenylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293247
N-[4-[4-[bis(7,9,9-trimethylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-3-amine
CID 177287705
N-(4-dibenzofuran-3-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-spiro[fluorene-9,9'-xanthene]-4-yl-N-triphenylen-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 160969279
N-(4-phenylphenyl)-N-[4'-[4-[4-[4-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)anilino]phenyl]phenyl]-9,9'-spirobi[fluorene]-4-yl]dibenzofuran-3-amine
CID 139352149
N-(4-dibenzofuran-2-ylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 135193270
7-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964420
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 167177057
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-3-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 161445585

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine?
The IUPAC name of N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine (CID 129267011) is N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine?
The canonical SMILES for N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine?
The InChIKey is PYUNQVPMGNWFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39NO/c1-57(2)47-19-8-3-14-40(47)43-33-31-39(35-52(43)57)59(38-29-26-36(27-30-38)37-28-32-45-44-17-7-12-25-54(44)60-55(45)34-37)53-24-13-23-51-56(53)46-18-6-11-22-50(46)58(51)48-20-9-4-15-41(48)42-16-5-10-21-49(42)58/h3-35H,1-2H3.
What are the key properties of N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine?
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine has a molecular weight of 765.96 g/mol, XLogP of 15.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-4-amine is sourced from PubChem (CID 129267011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).