4-N-dibenzothiophen-4-yl-2-N,2-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-2,4-diamine

C61H38N2O2S — CID 169305132

IUPAC4-N-dibenzothiophen-4-yl-2-N,2-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-2,4-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3cccc4c3sc3ccccc34)c3oc4ccccc4c3c2)cc1
InChIInChI=1S/C61H38N2O2S/c1-3-18-39(19-4-1)62(40-20-5-2-6-21-40)42-36-48-45-24-9-14-31-55(45)65-59(48)54(38-42)63(53-30-17-26-47-46-25-10-16-33-58(46)66-60(47)53)41-34-35-57-52(37-41)61(51-29-13-15-32-56(51)64-57)49-27-11-7-22-43(49)44-23-8-12-28-50(44)61/h1-38H
InChIKeyCXDASQHEONFQFR-UHFFFAOYSA-N
MW863.05 g/mol
LogP17.36
Rot. Bonds6

About 4-N-dibenzothiophen-4-yl-2-N,2-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-2,4-diamine

4-N-dibenzothiophen-4-yl-2-N,2-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-2,4-diamine (PubChem CID 169305132) has the molecular formula C61H38N2O2S and a molecular weight of 863.05 g/mol. Its IUPAC name is 4-N-dibenzothiophen-4-yl-2-N,2-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-2,4-diamine.

Molecular Properties

Compound Name4-N-dibenzothiophen-4-yl-2-N,2-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-2,4-diamine
PubChem CID169305132
Molecular FormulaC61H38N2O2S
Molecular Weight863.05 g/mol
Exact Mass862.27
IUPAC Name4-N-dibenzothiophen-4-yl-2-N,2-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-2,4-diamine
SMILESc1ccc(N(c2ccccc2)c2cc(N(c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3cccc4c3sc3ccccc34)c3oc4ccccc4c3c2)cc1
InChIInChI=1S/C61H38N2O2S/c1-3-18-39(19-4-1)62(40-20-5-2-6-21-40)42-36-48-45-24-9-14-31-55(45)65-59(48)54(38-42)63(53-30-17-26-47-46-25-10-16-33-58(46)66-60(47)53)41-34-35-57-52(37-41)61(51-29-13-15-32-56(51)64-57)49-27-11-7-22-43(49)44-23-8-12-28-50(44)61/h1-38H
InChIKeyCXDASQHEONFQFR-UHFFFAOYSA-N
XLogP17.36
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.05
LogP ≤ 517.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-N',7-N'-di(dibenzothiophen-4-yl)-2-N',7-N'-diphenylspiro[fluorene-9,9'-xanthene]-2',7'-diamine
CID 167178046
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475881
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
CID 158701835
2-N'-dibenzofuran-2-yl-4-N-dibenzothiophen-4-yl-2-N',4-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2',4-diamine
CID 134529887
N-dibenzofuran-2-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-dibenzofuran-4-yl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine;N-phenyl-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-3-amine
CID 158083207
N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-3-amine
CID 169022269
N-(3-dibenzofuran-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine;N-(3-dibenzothiophen-4-ylphenyl)-N,9,9-triphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-4-amine
CID 162115385
N-dibenzofuran-1-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine;N-dibenzofuran-3-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine;N-dibenzothiophen-2-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine;N-dibenzothiophen-4-yl-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-2-amine
CID 158456992
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476738
N-dibenzofuran-2-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
CID 162771338
N-dibenzofuran-3-yl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-4-amine
CID 159394304
N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
CID 169022179

Frequently Asked Questions

What is the IUPAC name of 4-N-dibenzothiophen-4-yl-2-N,2-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-2,4-diamine?
The IUPAC name of 4-N-dibenzothiophen-4-yl-2-N,2-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-2,4-diamine (CID 169305132) is 4-N-dibenzothiophen-4-yl-2-N,2-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-2,4-diamine.
What is the SMILES notation for 4-N-dibenzothiophen-4-yl-2-N,2-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-2,4-diamine?
The canonical SMILES for 4-N-dibenzothiophen-4-yl-2-N,2-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-2,4-diamine is c1ccc(N(c2ccccc2)c2cc(N(c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)c3cccc4c3sc3ccccc34)c3oc4ccccc4c3c2)cc1.
What is the InChIKey of 4-N-dibenzothiophen-4-yl-2-N,2-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-2,4-diamine?
The InChIKey is CXDASQHEONFQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H38N2O2S/c1-3-18-39(19-4-1)62(40-20-5-2-6-21-40)42-36-48-45-24-9-14-31-55(45)65-59(48)54(38-42)63(53-30-17-26-47-46-25-10-16-33-58(46)66-60(47)53)41-34-35-57-52(37-41)61(51-29-13-15-32-56(51)64-57)49-27-11-7-22-43(49)44-23-8-12-28-50(44)61/h1-38H.
What are the key properties of 4-N-dibenzothiophen-4-yl-2-N,2-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-2,4-diamine?
4-N-dibenzothiophen-4-yl-2-N,2-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-2,4-diamine has a molecular weight of 863.05 g/mol, XLogP of 17.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-dibenzothiophen-4-yl-2-N,2-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-2,4-diamine is sourced from PubChem (CID 169305132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).