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

C55H33NO2 — CID 176583162

IUPACN-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
SMILESc1ccc(N(c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c2cccc3oc4ccccc4c23)c(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C55H33NO2/c1-7-23-41-34(16-1)35-17-2-8-24-42(35)55(41)43-25-9-3-19-38(43)53-44(55)26-14-28-46(53)56(47-29-15-33-51-54(47)40-21-6-12-31-49(40)58-51)45-27-10-4-18-36(45)37-22-13-32-50-52(37)39-20-5-11-30-48(39)57-50/h1-33H
InChIKeyZEGJZQDYPZLNCV-UHFFFAOYSA-N
MW739.87 g/mol
LogP14.97
Rot. Bonds4

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

N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine (PubChem CID 176583162) has the molecular formula C55H33NO2 and a molecular weight of 739.87 g/mol. Its IUPAC name is N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
PubChem CID176583162
Molecular FormulaC55H33NO2
Molecular Weight739.87 g/mol
Exact Mass739.25
IUPAC NameN-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine
SMILESc1ccc(N(c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c2cccc3oc4ccccc4c23)c(-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C55H33NO2/c1-7-23-41-34(16-1)35-17-2-8-24-42(35)55(41)43-25-9-3-19-38(43)53-44(55)26-14-28-46(53)56(47-29-15-33-51-54(47)40-21-6-12-31-49(40)58-51)45-27-10-4-18-36(45)37-22-13-32-50-52(37)39-20-5-11-30-48(39)57-50/h1-33H
InChIKeyZEGJZQDYPZLNCV-UHFFFAOYSA-N
XLogP14.97
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.87
LogP ≤ 514.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-dibenzofuran-1-ylphenyl)-N-(2-dibenzothiophen-1-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 176583131
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 176583278
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-(2-dibenzofuran-1-ylphenyl)-N-naphthalen-2-yl-9,9'-spirobi[fluorene]-4-amine
CID 176583314
N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 170119694
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-4-amine
CID 139568033
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-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476554
N,N-bis(2-dibenzofuran-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 176583359
N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9'-spirobi[fluorene]-4-amine
CID 135271088
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
N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138716831

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine?
The IUPAC name of N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine (CID 176583162) is N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine.
What is the SMILES notation for N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine?
The canonical SMILES for N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine is c1ccc(N(c2cccc3c2-c2ccccc2C32c3ccccc3-c3ccccc32)c2cccc3oc4ccccc4c23)c(-c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine?
The InChIKey is ZEGJZQDYPZLNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33NO2/c1-7-23-41-34(16-1)35-17-2-8-24-42(35)55(41)43-25-9-3-19-38(43)53-44(55)26-14-28-46(53)56(47-29-15-33-51-54(47)40-21-6-12-31-49(40)58-51)45-27-10-4-18-36(45)37-22-13-32-50-52(37)39-20-5-11-30-48(39)57-50/h1-33H.
What are the key properties of N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine?
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine has a molecular weight of 739.87 g/mol, XLogP of 14.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzofuran-1-amine is sourced from PubChem (CID 176583162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).