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]-3-ylphenyl)dibenzofuran-1-amine

C57H37NO — CID 130260682

IUPACN-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylphenyl)dibenzofuran-1-amine
SMILESC1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5oc6ccccc6c45)cc3)ccc12
InChIInChI=1S/C57H37NO/c1-2-13-38(14-3-1)39-27-32-44(33-28-39)58(53-22-12-24-55-56(53)47-18-7-11-23-54(47)59-55)45-34-29-40(30-35-45)43-31-36-52-48(37-43)46-17-6-10-21-51(46)57(52)49-19-8-4-15-41(49)25-26-42-16-5-9-20-50(42)57/h1-37H
InChIKeyXJCWOOYWKMDOHJ-UHFFFAOYSA-N
MW751.93 g/mol
LogP15.24
Rot. Bonds5

About 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]-3-ylphenyl)dibenzofuran-1-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]-3-ylphenyl)dibenzofuran-1-amine (PubChem CID 130260682) has the molecular formula C57H37NO and a molecular weight of 751.93 g/mol. Its IUPAC name is 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]-3-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylphenyl)dibenzofuran-1-amine
PubChem CID130260682
Molecular FormulaC57H37NO
Molecular Weight751.93 g/mol
Exact Mass751.29
IUPAC NameN-(4-phenylphenyl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylphenyl)dibenzofuran-1-amine
SMILESC1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5oc6ccccc6c45)cc3)ccc12
InChIInChI=1S/C57H37NO/c1-2-13-38(14-3-1)39-27-32-44(33-28-39)58(53-22-12-24-55-56(53)47-18-7-11-23-54(47)59-55)45-34-29-40(30-35-45)43-31-36-52-48(37-43)46-17-6-10-21-51(46)57(52)49-19-8-4-15-41(49)25-26-42-16-5-9-20-50(42)57/h1-37H
InChIKeyXJCWOOYWKMDOHJ-UHFFFAOYSA-N
XLogP15.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.93
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 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]-3-ylphenyl)dibenzofuran-1-amine with MolForge

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Related Compounds

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]-2-ylphenyl)dibenzofuran-1-amine
CID 130264392
N-(4-phenylphenyl)-N-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717047
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
2-(5-dibenzofuran-3-yl-1-pentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaenyl)-N,N-bis(4-phenylphenyl)aniline
CID 122537211
N-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717049
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]-4-yldibenzofuran-1-amine
CID 121391790
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yldibenzofuran-2-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yldibenzofuran-2-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]-3-ylphenyl)dibenzofuran-2-amine
CID 161132318
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yldibenzofuran-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-ylphenyl)dibenzofuran-3-amine;N-(2-phenylphenyl)-N-spiro[fluorene-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-3-yldibenzofuran-3-amine
CID 157498192
N-(2-naphtho[2,1-b][1]benzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 168807381
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-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)-2-phenylphenyl]dibenzofuran-1-amine
CID 170666178
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 169039822

Frequently Asked Questions

What is the IUPAC name of 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]-3-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of 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]-3-ylphenyl)dibenzofuran-1-amine (CID 130260682) is 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]-3-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for 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]-3-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for 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]-3-ylphenyl)dibenzofuran-1-amine is C1=Cc2ccccc2C2(c3ccccc31)c1ccccc1-c1cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cccc5oc6ccccc6c45)cc3)ccc12.
What is the InChIKey of 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]-3-ylphenyl)dibenzofuran-1-amine?
The InChIKey is XJCWOOYWKMDOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37NO/c1-2-13-38(14-3-1)39-27-32-44(33-28-39)58(53-22-12-24-55-56(53)47-18-7-11-23-54(47)59-55)45-34-29-40(30-35-45)43-31-36-52-48(37-43)46-17-6-10-21-51(46)57(52)49-19-8-4-15-41(49)25-26-42-16-5-9-20-50(42)57/h1-37H.
What are the key properties of 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]-3-ylphenyl)dibenzofuran-1-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]-3-ylphenyl)dibenzofuran-1-amine has a molecular weight of 751.93 g/mol, XLogP of 15.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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]-3-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 130260682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).