N-phenyl-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)dibenzofuran-2-amine

C55H33NO3 — CID 138581262

IUPACN-phenyl-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)dibenzofuran-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3Oc3c(ccc5c3-c3ccccc3C53c5ccccc5-c5ccccc53)O4)cc2)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C55H33NO3/c1-2-13-35(14-3-1)56(37-29-31-49-43(33-37)41-17-7-11-23-48(41)57-49)36-27-25-34(26-28-36)38-19-12-24-50-53(38)59-54-51(58-50)32-30-47-52(54)42-18-6-10-22-46(42)55(47)44-20-8-4-15-39(44)40-16-5-9-21-45(40)55/h1-33H
InChIKeyGDTFJLKNKLXUEK-UHFFFAOYSA-N
MW755.87 g/mol
LogP14.96
Rot. Bonds4

About N-phenyl-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)dibenzofuran-2-amine

N-phenyl-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)dibenzofuran-2-amine (PubChem CID 138581262) has the molecular formula C55H33NO3 and a molecular weight of 755.87 g/mol. Its IUPAC name is N-phenyl-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-phenyl-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)dibenzofuran-2-amine
PubChem CID138581262
Molecular FormulaC55H33NO3
Molecular Weight755.87 g/mol
Exact Mass755.25
IUPAC NameN-phenyl-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)dibenzofuran-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc4c3Oc3c(ccc5c3-c3ccccc3C53c5ccccc5-c5ccccc53)O4)cc2)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C55H33NO3/c1-2-13-35(14-3-1)56(37-29-31-49-43(33-37)41-17-7-11-23-48(41)57-49)36-27-25-34(26-28-36)38-19-12-24-50-53(38)59-54-51(58-50)32-30-47-52(54)42-18-6-10-22-46(42)55(47)44-20-8-4-15-39(44)40-16-5-9-21-45(40)55/h1-33H
InChIKeyGDTFJLKNKLXUEK-UHFFFAOYSA-N
XLogP14.96
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.87
LogP ≤ 514.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-3-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-2'-ylaniline
CID 138582958
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-dibenzofuran-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538337
N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-3-amine
CID 168771578
N-dibenzofuran-3-yl-N-phenylspiro[fluoreno[4,3-b][1]benzofuran-7,9'-xanthene]-3-amine
CID 162771437
N,N-bis(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-amine
CID 129309035
N-(4-dibenzofuran-1-ylphenyl)-N-(3-spiro[fluorene-9,9'-xanthene]-4-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477512
N,N-diphenylspiro[9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-xanthene]-5-amine
CID 162771284
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476872
N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)dibenzofuran-2-amine
CID 138568672
N-(3-dibenzofuran-2-ylphenyl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118298560
N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine
CID 167176662

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-phenyl-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)dibenzofuran-2-amine (CID 138581262) is N-phenyl-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-phenyl-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-phenyl-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)dibenzofuran-2-amine is c1ccc(N(c2ccc(-c3cccc4c3Oc3c(ccc5c3-c3ccccc3C53c5ccccc5-c5ccccc53)O4)cc2)c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of N-phenyl-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)dibenzofuran-2-amine?
The InChIKey is GDTFJLKNKLXUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33NO3/c1-2-13-35(14-3-1)56(37-29-31-49-43(33-37)41-17-7-11-23-48(41)57-49)36-27-25-34(26-28-36)38-19-12-24-50-53(38)59-54-51(58-50)32-30-47-52(54)42-18-6-10-22-46(42)55(47)44-20-8-4-15-39(44)40-16-5-9-21-45(40)55/h1-33H.
What are the key properties of N-phenyl-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)dibenzofuran-2-amine?
N-phenyl-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)dibenzofuran-2-amine has a molecular weight of 755.87 g/mol, XLogP of 14.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-1'-ylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 138581262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).