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

C62H37NO2S — CID 138475881

IUPACN-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4c3sc3ccccc34)cc21
InChIInChI=1S/C62H37NO2S/c1-4-21-44-39(17-1)40-36-35-38(37-51(40)62(44)48-25-8-12-32-56(48)65-57-33-13-9-26-49(57)62)63(53-29-15-20-42-41-18-3-14-34-58(41)66-60(42)53)52-28-16-27-50-59(52)43-19-2-5-22-45(43)61(50)46-23-6-10-30-54(46)64-55-31-11-7-24-47(55)61/h1-37H
InChIKeyRHLYUMKVDDZKIK-UHFFFAOYSA-N
MW860.05 g/mol
LogP16.46
Rot. Bonds3

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

N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine (PubChem CID 138475881) has the molecular formula C62H37NO2S and a molecular weight of 860.05 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
PubChem CID138475881
Molecular FormulaC62H37NO2S
Molecular Weight860.05 g/mol
Exact Mass859.25
IUPAC NameN-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
SMILESc1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4c3sc3ccccc34)cc21
InChIInChI=1S/C62H37NO2S/c1-4-21-44-39(17-1)40-36-35-38(37-51(40)62(44)48-25-8-12-32-56(48)65-57-33-13-9-26-49(57)62)63(53-29-15-20-42-41-18-3-14-34-58(41)66-60(42)53)52-28-16-27-50-59(52)43-19-2-5-22-45(43)61(50)46-23-6-10-30-54(46)64-55-31-11-7-24-47(55)61/h1-37H
InChIKeyRHLYUMKVDDZKIK-UHFFFAOYSA-N
XLogP16.46
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500860.05
LogP ≤ 516.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-4-amine
CID 138476718
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476738
N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 167176690
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
4-N-dibenzothiophen-1-yl-2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 167177170
2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915366
2-N',7-N'-di(dibenzothiophen-4-yl)-2-N',7-N'-diphenylspiro[fluorene-9,9'-xanthene]-2',7'-diamine
CID 167178046
2',7'-ditert-butyl-N-dibenzothiophen-1-yl-N-(2,7-ditert-butylspiro[fluorene-9,9'-xanthene]-2'-yl)spiro[fluorene-9,9'-xanthene]-4-amine
CID 174286860
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-amine
CID 170138695
3-N-dibenzothiophen-3-yl-3-N-naphthalen-1-yl-6-N-phenyl-6-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophene-3,6-diamine
CID 167230322
N-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-16-amine
CID 138581679

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine (CID 138475881) is N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine is c1ccc2c(c1)Oc1ccccc1C21c2ccccc2-c2ccc(N(c3cccc4c3-c3ccccc3C43c4ccccc4Oc4ccccc43)c3cccc4c3sc3ccccc34)cc21.
What is the InChIKey of N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine?
The InChIKey is RHLYUMKVDDZKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H37NO2S/c1-4-21-44-39(17-1)40-36-35-38(37-51(40)62(44)48-25-8-12-32-56(48)65-57-33-13-9-26-49(57)62)63(53-29-15-20-42-41-18-3-14-34-58(41)66-60(42)53)52-28-16-27-50-59(52)43-19-2-5-22-45(43)61(50)46-23-6-10-30-54(46)64-55-31-11-7-24-47(55)61/h1-37H.
What are the key properties of N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine?
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine has a molecular weight of 860.05 g/mol, XLogP of 16.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine is sourced from PubChem (CID 138475881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).