N-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine

C55H35NO — CID 138717049

IUPACN-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccc(-c6ccccc6)cc53)c3ccccc3-4)c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C55H35NO/c1-3-15-36(16-4-1)38-19-13-20-40(33-38)56(51-26-14-28-53-54(51)46-23-9-12-27-52(46)57-53)41-30-32-45-43-22-8-11-25-48(43)55(50(45)35-41)47-24-10-7-21-42(47)44-31-29-39(34-49(44)55)37-17-5-2-6-18-37/h1-35H
InChIKeyISTDQKWRMXUELN-UHFFFAOYSA-N
MW725.89 g/mol
LogP14.73
Rot. Bonds5

About N-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine

N-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine (PubChem CID 138717049) has the molecular formula C55H35NO and a molecular weight of 725.89 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
PubChem CID138717049
Molecular FormulaC55H35NO
Molecular Weight725.89 g/mol
Exact Mass725.27
IUPAC NameN-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccc(-c6ccccc6)cc53)c3ccccc3-4)c3cccc4oc5ccccc5c34)c2)cc1
InChIInChI=1S/C55H35NO/c1-3-15-36(16-4-1)38-19-13-20-40(33-38)56(51-26-14-28-53-54(51)46-23-9-12-27-52(46)57-53)41-30-32-45-43-22-8-11-25-48(43)55(50(45)35-41)47-24-10-7-21-42(47)44-31-29-39(34-49(44)55)37-17-5-2-6-18-37/h1-35H
InChIKeyISTDQKWRMXUELN-UHFFFAOYSA-N
XLogP14.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.89
LogP ≤ 514.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-phenylphenyl)-N-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717047
N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-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-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717052
N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138716831
N-(3-dibenzofuran-2-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298560
N-(2-dibenzofuran-1-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 176583375
4-N-dibenzofuran-1-yl-1-N,1-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2-ylbenzene-1,4-diamine
CID 166959985
N-(9,9-diphenylfluoren-2-yl)-8-phenyl-N-[3-[9-(3-phenylphenyl)fluoren-9-yl]phenyl]dibenzofuran-1-amine
CID 176759723
N-(4-dibenzofuran-1-ylphenyl)-2'-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258889
N-(3-phenylphenyl)-N-(3-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-16-ylphenyl)dibenzofuran-1-amine
CID 138582622
N-[3-(9',9'-dimethylspiro[fluorene-9,14'-pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene]-2-yl)-5-phenylphenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 167118083
N-(4-dibenzofuran-3-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164784270

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine?
The IUPAC name of N-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine (CID 138717049) is N-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine?
The canonical SMILES for N-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)C3(c5ccccc5-c5ccc(-c6ccccc6)cc53)c3ccccc3-4)c3cccc4oc5ccccc5c34)c2)cc1.
What is the InChIKey of N-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine?
The InChIKey is ISTDQKWRMXUELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NO/c1-3-15-36(16-4-1)38-19-13-20-40(33-38)56(51-26-14-28-53-54(51)46-23-9-12-27-52(46)57-53)41-30-32-45-43-22-8-11-25-48(43)55(50(45)35-41)47-24-10-7-21-42(47)44-31-29-39(34-49(44)55)37-17-5-2-6-18-37/h1-35H.
What are the key properties of N-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine?
N-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine has a molecular weight of 725.89 g/mol, XLogP of 14.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine is sourced from PubChem (CID 138717049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).