N-[3-methyl-4-(9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

C56H37NO — CID 130379438

IUPACN-[3-methyl-4-(9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESCc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2oc2ccccc23)ccc1-c1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C56H37NO/c1-36-35-40(57(39-31-29-38(30-32-39)37-15-3-2-4-16-37)52-27-14-23-48-45-20-8-12-28-53(45)58-55(48)52)33-34-41(36)46-21-13-22-47-44-19-7-11-26-51(44)56(54(46)47)49-24-9-5-17-42(49)43-18-6-10-25-50(43)56/h2-35H,1H3
InChIKeyAKUADQDWKJUIQC-UHFFFAOYSA-N
MW739.92 g/mol
LogP15.04
Rot. Bonds5

About N-[3-methyl-4-(9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine

N-[3-methyl-4-(9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (PubChem CID 130379438) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is N-[3-methyl-4-(9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-[3-methyl-4-(9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
PubChem CID130379438
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC NameN-[3-methyl-4-(9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
SMILESCc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2oc2ccccc23)ccc1-c1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2
InChIInChI=1S/C56H37NO/c1-36-35-40(57(39-31-29-38(30-32-39)37-15-3-2-4-16-37)52-27-14-23-48-45-20-8-12-28-53(45)58-55(48)52)33-34-41(36)46-21-13-22-47-44-19-7-11-26-51(44)56(54(46)47)49-24-9-5-17-42(49)43-18-6-10-25-50(43)56/h2-35H,1H3
InChIKeyAKUADQDWKJUIQC-UHFFFAOYSA-N
XLogP15.04
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 515.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[bis(7-methyl-9,9-diphenylfluoren-2-yl)amino]-2-methylphenyl]phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine
CID 177287603
N-[4-[4-(N-(9,9-dimethylfluoren-3-yl)-4-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 71126808
N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)dibenzofuran-4-amine
CID 130260344
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-ylphenyl)fluoren-2-amine;N-(4-phenylphenyl)-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]-3-yldibenzofuran-4-amine
CID 159624894
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylphenyl)fluoren-2-amine;methane;N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylphenyl)dibenzofuran-4-amine
CID 162207264
N-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167177472
N-(4-phenylphenyl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139297889
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine
CID 90277788
N-(2-dibenzofuran-4-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298285
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)fluoren-2-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-2-ylphenyl)dibenzofuran-4-amine
CID 160695433
N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[3-methyl-4-[2-methyl-4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine;N-(7-dibenzofuran-4-yl-9,9-dimethylfluoren-2-yl)-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]triphenylen-2-amine
CID 160705576
N-(4-phenylphenyl)-N-(2'-phenyl-9,9'-spirobi[fluorene]-1-yl)dibenzofuran-2-amine
CID 129259116

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The IUPAC name of N-[3-methyl-4-(9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine (CID 130379438) is N-[3-methyl-4-(9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine.
What is the SMILES notation for N-[3-methyl-4-(9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The canonical SMILES for N-[3-methyl-4-(9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is Cc1cc(N(c2ccc(-c3ccccc3)cc2)c2cccc3c2oc2ccccc23)ccc1-c1cccc2c1C1(c3ccccc3-c3ccccc31)c1ccccc1-2.
What is the InChIKey of N-[3-methyl-4-(9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
The InChIKey is AKUADQDWKJUIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-36-35-40(57(39-31-29-38(30-32-39)37-15-3-2-4-16-37)52-27-14-23-48-45-20-8-12-28-53(45)58-55(48)52)33-34-41(36)46-21-13-22-47-44-19-7-11-26-51(44)56(54(46)47)49-24-9-5-17-42(49)43-18-6-10-25-50(43)56/h2-35H,1H3.
What are the key properties of N-[3-methyl-4-(9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine?
N-[3-methyl-4-(9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine has a molecular weight of 739.92 g/mol, XLogP of 15.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(9,9'-spirobi[fluorene]-1-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine is sourced from PubChem (CID 130379438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).