N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine

C62H37NO3 — CID 138476554

IUPACN-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4oc5ccccc5c34)cc21
InChIInChI=1S/C62H37NO3/c1-4-20-43-39(17-1)40-36-35-38(37-50(40)62(43)47-24-8-13-32-56(47)66-57-33-14-9-25-48(57)62)63(52-28-16-34-58-60(52)42-19-3-10-29-53(42)64-58)51-27-15-26-49-59(51)41-18-2-5-21-44(41)61(49)45-22-6-11-30-54(45)65-55-31-12-7-23-46(55)61/h1-37H
InChIKeyBIGRGRGAMFXDPK-UHFFFAOYSA-N
MW843.98 g/mol
LogP15.99
Rot. Bonds3

About N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine

N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 138476554) has the molecular formula C62H37NO3 and a molecular weight of 843.98 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID138476554
Molecular FormulaC62H37NO3
Molecular Weight843.98 g/mol
Exact Mass843.28
IUPAC NameN-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4oc5ccccc5c34)cc21
InChIInChI=1S/C62H37NO3/c1-4-20-43-39(17-1)40-36-35-38(37-50(40)62(43)47-24-8-13-32-56(47)66-57-33-14-9-25-48(57)62)63(52-28-16-34-58-60(52)42-19-3-10-29-53(42)64-58)51-27-15-26-49-59(51)41-18-2-5-21-44(41)61(49)45-22-6-11-30-54(45)65-55-31-12-7-23-46(55)61/h1-37H
InChIKeyBIGRGRGAMFXDPK-UHFFFAOYSA-N
XLogP15.99
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.98
LogP ≤ 515.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476859
N,N-di(spiro[fluorene-9,9'-xanthene]-4-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476433
N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138475996
N-dibenzofuran-1-yl-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-amine
CID 138716831
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-(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-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 176763170
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 138476111
N,N-bis(2-dibenzofuran-1-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 176583359
N-dibenzofuran-1-yl-N-(8-phenyldibenzofuran-1-yl)spiro[fluorene-9,9'-xanthene]-2'-amine
CID 169315784
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-(4-dibenzofuran-3-ylphenyl)-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-phenyl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine;N-spiro[fluorene-9,9'-xanthene]-4-yl-N-triphenylen-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 160969279

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine (CID 138476554) is N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4oc5ccccc5c34)cc21.
What is the InChIKey of N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is BIGRGRGAMFXDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37NO3/c1-4-20-43-39(17-1)40-36-35-38(37-50(40)62(43)47-24-8-13-32-56(47)66-57-33-14-9-25-48(57)62)63(52-28-16-34-58-60(52)42-19-3-10-29-53(42)64-58)51-27-15-26-49-59(51)41-18-2-5-21-44(41)61(49)45-22-6-11-30-54(45)65-55-31-12-7-23-46(55)61/h1-37H.
What are the key properties of N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine?
N-dibenzofuran-1-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 843.98 g/mol, XLogP of 15.99, 3 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-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 138476554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).