N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]dibenzofuran-1-amine

C55H35NO — CID 156524645

IUPACN-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(N(c2cccc(-c3ccccc3-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C55H35NO/c1-2-18-37(19-3-1)56(50-32-16-34-52-54(50)45-26-9-13-33-51(45)57-52)38-20-14-17-36(35-38)39-21-4-5-22-40(39)43-27-15-31-49-53(43)44-25-8-12-30-48(44)55(49)46-28-10-6-23-41(46)42-24-7-11-29-47(42)55/h1-35H
InChIKeySMOSGOQNJPITJK-UHFFFAOYSA-N
MW725.89 g/mol
LogP14.73
Rot. Bonds5

About N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]dibenzofuran-1-amine

N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]dibenzofuran-1-amine (PubChem CID 156524645) has the molecular formula C55H35NO and a molecular weight of 725.89 g/mol. Its IUPAC name is N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]dibenzofuran-1-amine
PubChem CID156524645
Molecular FormulaC55H35NO
Molecular Weight725.89 g/mol
Exact Mass725.27
IUPAC NameN-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]dibenzofuran-1-amine
SMILESc1ccc(N(c2cccc(-c3ccccc3-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C55H35NO/c1-2-18-37(19-3-1)56(50-32-16-34-52-54(50)45-26-9-13-33-51(45)57-52)38-20-14-17-36(35-38)39-21-4-5-22-40(39)43-27-15-31-49-53(43)44-25-8-12-30-48(44)55(49)46-28-10-6-23-41(46)42-24-7-11-29-47(42)55/h1-35H
InChIKeySMOSGOQNJPITJK-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-(3-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129267119
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-(3-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167176749
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-2-amine
CID 130263998
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-[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-phenylphenyl)-N-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717047
N-dibenzofuran-1-yl-N-(2-phenylphenyl)spiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-amine
CID 130465181
1-N-dibenzofuran-1-yl-2-N-(9,9-diphenylfluoren-4-yl)-1-N-phenyl-2-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,2-diamine
CID 155096765
N,N-bis(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-amine
CID 121285759
N,5-bis(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)naphtho[1,2-b][1]benzofuran-7-amine
CID 155423727

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]dibenzofuran-1-amine?
The IUPAC name of N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]dibenzofuran-1-amine (CID 156524645) is N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]dibenzofuran-1-amine is c1ccc(N(c2cccc(-c3ccccc3-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)c2)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]dibenzofuran-1-amine?
The InChIKey is SMOSGOQNJPITJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NO/c1-2-18-37(19-3-1)56(50-32-16-34-52-54(50)45-26-9-13-33-51(45)57-52)38-20-14-17-36(35-38)39-21-4-5-22-40(39)43-27-15-31-49-53(43)44-25-8-12-30-48(44)55(49)46-28-10-6-23-41(46)42-24-7-11-29-47(42)55/h1-35H.
What are the key properties of N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]dibenzofuran-1-amine?
N-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]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-phenyl-N-[3-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 156524645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).