N-dibenzofuran-1-yl-N-(8-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine

C55H33NO3 — CID 169315784

IUPACN-dibenzofuran-1-yl-N-(8-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
SMILESc1ccc(-c2ccc3oc4cccc(N(c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)c5cccc6oc7ccccc7c56)c4c3c2)cc1
InChIInChI=1S/C55H33NO3/c1-2-14-34(15-3-1)35-28-30-48-40(32-35)54-46(23-13-27-52(54)58-48)56(45-22-12-26-51-53(45)39-18-6-10-24-47(39)57-51)36-29-31-50-44(33-36)55(43-21-9-11-25-49(43)59-50)41-19-7-4-16-37(41)38-17-5-8-20-42(38)55/h1-33H
InChIKeyWBFGABGZWGDEMO-UHFFFAOYSA-N
MW755.87 g/mol
LogP15.09
Rot. Bonds4

About N-dibenzofuran-1-yl-N-(8-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine

N-dibenzofuran-1-yl-N-(8-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine (PubChem CID 169315784) has the molecular formula C55H33NO3 and a molecular weight of 755.87 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-(8-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-(8-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
PubChem CID169315784
Molecular FormulaC55H33NO3
Molecular Weight755.87 g/mol
Exact Mass755.25
IUPAC NameN-dibenzofuran-1-yl-N-(8-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
SMILESc1ccc(-c2ccc3oc4cccc(N(c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)c5cccc6oc7ccccc7c56)c4c3c2)cc1
InChIInChI=1S/C55H33NO3/c1-2-14-34(15-3-1)35-28-30-48-40(32-35)54-46(23-13-27-52(54)58-48)56(45-22-12-26-51-53(45)39-18-6-10-24-47(39)57-51)36-29-31-50-44(33-36)55(43-21-9-11-25-49(43)59-50)41-19-7-4-16-37(41)38-17-5-8-20-42(38)55/h1-33H
InChIKeyWBFGABGZWGDEMO-UHFFFAOYSA-N
XLogP15.09
TPSA38.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.87
LogP ≤ 515.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenylphenyl)-N-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717047
N-(8-phenyldibenzofuran-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4-amine
CID 176759987
N-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717052
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-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717049
CID 174144701
CID 174144701
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476554
N-dibenzofuran-1-yl-4'-phenyl-N-spiro[fluorene-9,9'-xanthene]-4'-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 168799178
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476859
N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138716831
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-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 176763170

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-(8-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-(8-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine (CID 169315784) is N-dibenzofuran-1-yl-N-(8-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-(8-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-(8-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine is c1ccc(-c2ccc3oc4cccc(N(c5ccc6c(c5)C5(c7ccccc7O6)c6ccccc6-c6ccccc65)c5cccc6oc7ccccc7c56)c4c3c2)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N-(8-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine?
The InChIKey is WBFGABGZWGDEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33NO3/c1-2-14-34(15-3-1)35-28-30-48-40(32-35)54-46(23-13-27-52(54)58-48)56(45-22-12-26-51-53(45)39-18-6-10-24-47(39)57-51)36-29-31-50-44(33-36)55(43-21-9-11-25-49(43)59-50)41-19-7-4-16-37(41)38-17-5-8-20-42(38)55/h1-33H.
What are the key properties of N-dibenzofuran-1-yl-N-(8-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine?
N-dibenzofuran-1-yl-N-(8-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine has a molecular weight of 755.87 g/mol, XLogP of 15.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-(8-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine is sourced from PubChem (CID 169315784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).