N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine

C56H37NO2 — CID 164730839

IUPACN-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccc5ccccc5c3-4)c3ccc4oc5ccccc5c4c3)cc21
InChIInChI=1S/C56H37NO2/c1-55(2)44-17-7-5-15-39(44)40-27-24-36(32-48(40)55)57(35-26-30-51-43(31-35)41-16-6-10-20-50(41)58-51)37-25-28-42-49(33-37)56(47-29-23-34-13-3-4-14-38(34)54(42)47)45-18-8-11-21-52(45)59-53-22-12-9-19-46(53)56/h3-33H,1-2H3
InChIKeyRKBJNMHXYGAVSV-UHFFFAOYSA-N
MW755.92 g/mol
LogP14.98
Rot. Bonds3

About N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine

N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine (PubChem CID 164730839) has the molecular formula C56H37NO2 and a molecular weight of 755.92 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
PubChem CID164730839
Molecular FormulaC56H37NO2
Molecular Weight755.92 g/mol
Exact Mass755.28
IUPAC NameN-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccc5ccccc5c3-4)c3ccc4oc5ccccc5c4c3)cc21
InChIInChI=1S/C56H37NO2/c1-55(2)44-17-7-5-15-39(44)40-27-24-36(32-48(40)55)57(35-26-30-51-43(31-35)41-16-6-10-20-50(41)58-51)37-25-28-42-49(33-37)56(47-29-23-34-13-3-4-14-38(34)54(42)47)45-18-8-11-21-52(45)59-53-22-12-9-19-46(53)56/h3-33H,1-2H3
InChIKeyRKBJNMHXYGAVSV-UHFFFAOYSA-N
XLogP14.98
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.92
LogP ≤ 514.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 164730810
N-(9,9-dimethylfluoren-2-yl)-N-spiro[benzo[g]fluorene-7,9'-thioxanthene]-9-yldibenzofuran-3-amine
CID 164730931
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 156563559
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-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-phenylspiro[benzo[g]fluorene-7,9'-fluorene]-9-amine
CID 134193943
N-dibenzofuran-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine
CID 163804451
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 130463065
N-dibenzofuran-2-yl-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-xanthene]-10-amine
CID 164730958
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-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]-2'-ylphenyl)fluoren-2-amine
CID 135229503
N-dibenzofuran-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 176763170
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 138476405

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine?
The IUPAC name of N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine (CID 164730839) is N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine?
The canonical SMILES for N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5Oc5ccccc53)c3ccc5ccccc5c3-4)c3ccc4oc5ccccc5c4c3)cc21.
What is the InChIKey of N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine?
The InChIKey is RKBJNMHXYGAVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO2/c1-55(2)44-17-7-5-15-39(44)40-27-24-36(32-48(40)55)57(35-26-30-51-43(31-35)41-16-6-10-20-50(41)58-51)37-25-28-42-49(33-37)56(47-29-23-34-13-3-4-14-38(34)54(42)47)45-18-8-11-21-52(45)59-53-22-12-9-19-46(53)56/h3-33H,1-2H3.
What are the key properties of N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine?
N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine has a molecular weight of 755.92 g/mol, XLogP of 14.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)spiro[benzo[g]fluorene-7,9'-xanthene]-9-amine is sourced from PubChem (CID 164730839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).