4-(3'-dibenzofuran-2-yl-9,9'-spirobi[xanthene]-3-yl)-N,N-diphenylaniline

C55H35NO3 — CID 118698577

IUPAC4-(3'-dibenzofuran-2-yl-9,9'-spirobi[xanthene]-3-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4Oc4cc(-c5ccc6oc7ccccc7c6c5)ccc43)cc2)cc1
InChIInChI=1S/C55H35NO3/c1-3-13-40(14-4-1)56(41-15-5-2-6-16-41)42-28-23-36(24-29-42)38-25-30-47-53(34-38)58-51-21-11-8-18-45(51)55(47)46-19-9-12-22-52(46)59-54-35-39(26-31-48(54)55)37-27-32-50-44(33-37)43-17-7-10-20-49(43)57-50/h1-35H
InChIKeyFQBHNJBXBSKJST-UHFFFAOYSA-N
MW757.89 g/mol
LogP14.98
Rot. Bonds5

About 4-(3'-dibenzofuran-2-yl-9,9'-spirobi[xanthene]-3-yl)-N,N-diphenylaniline

4-(3'-dibenzofuran-2-yl-9,9'-spirobi[xanthene]-3-yl)-N,N-diphenylaniline (PubChem CID 118698577) has the molecular formula C55H35NO3 and a molecular weight of 757.89 g/mol. Its IUPAC name is 4-(3'-dibenzofuran-2-yl-9,9'-spirobi[xanthene]-3-yl)-N,N-diphenylaniline.

Molecular Properties

Compound Name4-(3'-dibenzofuran-2-yl-9,9'-spirobi[xanthene]-3-yl)-N,N-diphenylaniline
PubChem CID118698577
Molecular FormulaC55H35NO3
Molecular Weight757.89 g/mol
Exact Mass757.26
IUPAC Name4-(3'-dibenzofuran-2-yl-9,9'-spirobi[xanthene]-3-yl)-N,N-diphenylaniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4Oc4cc(-c5ccc6oc7ccccc7c6c5)ccc43)cc2)cc1
InChIInChI=1S/C55H35NO3/c1-3-13-40(14-4-1)56(41-15-5-2-6-16-41)42-28-23-36(24-29-42)38-25-30-47-53(34-38)58-51-21-11-8-18-45(51)55(47)46-19-9-12-22-52(46)59-54-35-39(26-31-48(54)55)37-27-32-50-44(33-37)43-17-7-10-20-49(43)57-50/h1-35H
InChIKeyFQBHNJBXBSKJST-UHFFFAOYSA-N
XLogP14.98
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.89
LogP ≤ 514.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylxanthene
CID 177298087
N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-3-amine
CID 126538337
N-dibenzofuran-3-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3'-amine
CID 174232918
3-(7-dibenzofuran-2-yldibenzofuran-3-yl)-9,9-diphenylxanthene
CID 177299078
1-N,3-N,5-N-tris(4-dibenzofuran-2-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605062
N-(4-dibenzofuran-2-ylphenyl)-N-phenyldibenzofuran-2-amine
CID 90350985
N,N-bis(4-dibenzofuran-2-ylphenyl)-4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]aniline
CID 58510590
3-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethylxanthene
CID 177297955
N-phenyl-N-(3-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)dibenzofuran-3-amine
CID 167176662
3-N,3-N-bis(4-dibenzofuran-2-ylphenyl)-1-N,5-N-diphenyl-1-N,5-N-bis(4-phenylphenyl)benzene-1,3,5-triamine
CID 118605075
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-phenylspiro[anthracene-10,9'-fluorene]-2-amine
CID 167177585
3-dibenzofuran-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 121327922

Frequently Asked Questions

What is the IUPAC name of 4-(3'-dibenzofuran-2-yl-9,9'-spirobi[xanthene]-3-yl)-N,N-diphenylaniline?
The IUPAC name of 4-(3'-dibenzofuran-2-yl-9,9'-spirobi[xanthene]-3-yl)-N,N-diphenylaniline (CID 118698577) is 4-(3'-dibenzofuran-2-yl-9,9'-spirobi[xanthene]-3-yl)-N,N-diphenylaniline.
What is the SMILES notation for 4-(3'-dibenzofuran-2-yl-9,9'-spirobi[xanthene]-3-yl)-N,N-diphenylaniline?
The canonical SMILES for 4-(3'-dibenzofuran-2-yl-9,9'-spirobi[xanthene]-3-yl)-N,N-diphenylaniline is c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)Oc3ccccc3C43c4ccccc4Oc4cc(-c5ccc6oc7ccccc7c6c5)ccc43)cc2)cc1.
What is the InChIKey of 4-(3'-dibenzofuran-2-yl-9,9'-spirobi[xanthene]-3-yl)-N,N-diphenylaniline?
The InChIKey is FQBHNJBXBSKJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H35NO3/c1-3-13-40(14-4-1)56(41-15-5-2-6-16-41)42-28-23-36(24-29-42)38-25-30-47-53(34-38)58-51-21-11-8-18-45(51)55(47)46-19-9-12-22-52(46)59-54-35-39(26-31-48(54)55)37-27-32-50-44(33-37)43-17-7-10-20-49(43)57-50/h1-35H.
What are the key properties of 4-(3'-dibenzofuran-2-yl-9,9'-spirobi[xanthene]-3-yl)-N,N-diphenylaniline?
4-(3'-dibenzofuran-2-yl-9,9'-spirobi[xanthene]-3-yl)-N,N-diphenylaniline has a molecular weight of 757.89 g/mol, XLogP of 14.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3'-dibenzofuran-2-yl-9,9'-spirobi[xanthene]-3-yl)-N,N-diphenylaniline is sourced from PubChem (CID 118698577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).