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

C63H38N2O2S — CID 134529887

IUPAC2-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
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4c(N(c5ccccc5)c5cccc6c5sc5ccccc56)cccc42)c2c-3oc3ccccc23)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C63H38N2O2S/c1-3-17-39(18-4-1)64(41-34-36-57-49(37-41)43-21-8-12-30-55(43)66-57)42-33-35-47-52(38-42)63(60-48-24-9-13-31-56(48)67-61(47)60)50-26-11-7-23-46(50)59-51(63)27-16-28-53(59)65(40-19-5-2-6-20-40)54-29-15-25-45-44-22-10-14-32-58(44)68-62(45)54/h1-38H
InChIKeyPZAAFZIZJALSSD-UHFFFAOYSA-N
MW887.08 g/mol
LogP17.98
Rot. Bonds6

About 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

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 (PubChem CID 134529887) has the molecular formula C63H38N2O2S and a molecular weight of 887.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID134529887
Molecular FormulaC63H38N2O2S
Molecular Weight887.08 g/mol
Exact Mass886.27
IUPAC Name2-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
SMILESc1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4c(N(c5ccccc5)c5cccc6c5sc5ccccc56)cccc42)c2c-3oc3ccccc23)c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C63H38N2O2S/c1-3-17-39(18-4-1)64(41-34-36-57-49(37-41)43-21-8-12-30-55(43)66-57)42-33-35-47-52(38-42)63(60-48-24-9-13-31-56(48)67-61(47)60)50-26-11-7-23-46(50)59-51(63)27-16-28-53(59)65(40-19-5-2-6-20-40)54-29-15-25-45-44-22-10-14-32-58(44)68-62(45)54/h1-38H
InChIKeyPZAAFZIZJALSSD-UHFFFAOYSA-N
XLogP17.98
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.08
LogP ≤ 517.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

4-N-dibenzofuran-2-yl-2-N'-dibenzothiophen-2-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N',4-N-diphenyl-2-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine;2-N',4-N-di(dibenzofuran-2-yl)-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 158402025
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 121424368
3-N,3-N'-di(dibenzofuran-4-yl)-3-N,3-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3,3'-diamine;4-N,4-N'-di(dibenzofuran-2-yl)-4-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4,4'-diamine;1-N',3-N-di(dibenzothiophen-2-yl)-1-N',3-N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1',3-diamine
CID 158464585
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475881
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-(4-carbazol-9-ylphenyl)-N,N-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-amine;2-N,2-N'-di(dibenzothiophen-4-yl)-2-N,2-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,2'-diamine;N,N-diphenyl-2-[4-(N-phenylanilino)phenyl]spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-amine;N,4-diphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2'-yl]phenyl]aniline;2-N,2-N,2-N'-triphenyl-2-N'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,2'-diamine
CID 158941392
2-N,4-N,4-N-triphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-2,4-diamine
CID 134529625
2-N'-dibenzothiophen-4-yl-2-N',4-N-diphenyl-4-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915366
N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424235
4-N-dibenzothiophen-4-yl-2-N,2-N-diphenyl-4-N-spiro[fluorene-9,9'-xanthene]-2'-yldibenzofuran-2,4-diamine
CID 169305132
N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-6-[2-(N-phenylanilino)-9,9'-spirobi[fluorene]-4'-yl]dibenzothiophen-2-amine
CID 164934267
N-(4-dibenzofuran-1-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-2-amine;N-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine;N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-4-amine
CID 159716995

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccc3c(c2)C2(c4ccccc4-c4c(N(c5ccccc5)c5cccc6c5sc5ccccc56)cccc42)c2c-3oc3ccccc23)c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of 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?
The InChIKey is PZAAFZIZJALSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N2O2S/c1-3-17-39(18-4-1)64(41-34-36-57-49(37-41)43-21-8-12-30-55(43)66-57)42-33-35-47-52(38-42)63(60-48-24-9-13-31-56(48)67-61(47)60)50-26-11-7-23-46(50)59-51(63)27-16-28-53(59)65(40-19-5-2-6-20-40)54-29-15-25-45-44-22-10-14-32-58(44)68-62(45)54/h1-38H.
What are the key properties of 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?
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 has a molecular weight of 887.08 g/mol, XLogP of 17.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134529887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).