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

C189H114N6O7S2 — CID 158464585

IUPAC3-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
SMILESc1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3c(cccc3N(c3ccccc3)c3ccc4sc5ccccc5c4c3)-c3oc4ccccc4c32)c2ccc3sc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3-c3oc4ccccc4c32)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cccc3c2-c2ccccc2C32c3cccc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3-c3oc4ccccc4c32)cc1
InChIInChI=1S/2C63H38N2O3.C63H38N2OS2/c1-3-17-39(18-4-1)64(41-33-35-57-47(37-41)43-21-8-12-30-54(43)66-57)52-28-15-26-50-59(52)45-23-7-11-25-49(45)63(50)51-27-16-29-53(60(51)62-61(63)46-24-10-14-32-56(46)68-62)65(40-19-5-2-6-20-40)42-34-36-58-48(38-42)44-22-9-13-31-55(44)67-58;1-3-17-39(18-4-1)64(54-28-15-25-46-44-22-8-12-30-56(44)66-60(46)54)41-33-35-52-49(37-41)43-21-7-11-27-51(43)63(52)53-36-34-42(38-50(53)62-59(63)48-24-10-14-32-58(48)68-62)65(40-19-5-2-6-20-40)55-29-16-26-47-45-23-9-13-31-57(45)67-61(47)55;1-3-16-39(17-4-1)64(42-31-34-58-50(37-42)45-21-9-13-28-56(45)67-58)41-30-33-53-49(36-41)44-20-7-11-25-52(44)63(53)60-48(62-61(63)47-23-8-12-27-55(47)66-62)24-15-26-54(60)65(40-18-5-2-6-19-40)43-32-35-59-51(38-43)46-22-10-14-29-57(46)68-59/h3*1-38H
InChIKeyHFPDZNGNKAKOMM-UHFFFAOYSA-N
MW2645.16 g/mol
LogP53.48
Rot. Bonds18

About 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

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 (PubChem CID 158464585) has the molecular formula C189H114N6O7S2 and a molecular weight of 2645.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID158464585
Molecular FormulaC189H114N6O7S2
Molecular Weight2645.16 g/mol
Exact Mass2642.82
IUPAC Name3-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
SMILESc1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3c(cccc3N(c3ccccc3)c3ccc4sc5ccccc5c4c3)-c3oc4ccccc4c32)c2ccc3sc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3-c3oc4ccccc4c32)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cccc3c2-c2ccccc2C32c3cccc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3-c3oc4ccccc4c32)cc1
InChIInChI=1S/2C63H38N2O3.C63H38N2OS2/c1-3-17-39(18-4-1)64(41-33-35-57-47(37-41)43-21-8-12-30-54(43)66-57)52-28-15-26-50-59(52)45-23-7-11-25-49(45)63(50)51-27-16-29-53(60(51)62-61(63)46-24-10-14-32-56(46)68-62)65(40-19-5-2-6-20-40)42-34-36-58-48(38-42)44-22-9-13-31-55(44)67-58;1-3-17-39(18-4-1)64(54-28-15-25-46-44-22-8-12-30-56(44)66-60(46)54)41-33-35-52-49(37-41)43-21-7-11-27-51(43)63(52)53-36-34-42(38-50(53)62-59(63)48-24-10-14-32-58(48)68-62)65(40-19-5-2-6-20-40)55-29-16-26-47-45-23-9-13-31-57(45)67-61(47)55;1-3-16-39(17-4-1)64(42-31-34-58-50(37-42)45-21-9-13-28-56(45)67-58)41-30-33-53-49(36-41)44-20-7-11-25-52(44)63(53)60-48(62-61(63)47-23-8-12-27-55(47)66-62)24-15-26-54(60)65(40-18-5-2-6-19-40)43-32-35-59-51(38-43)46-22-10-14-29-57(46)68-59/h3*1-38H
InChIKeyHFPDZNGNKAKOMM-UHFFFAOYSA-N
XLogP53.48
TPSA111.42 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002645.16
LogP ≤ 553.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

2-N'-dibenzofuran-4-yl-4-N-naphthalen-1-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;2-N'-dibenzothiophen-2-yl-4-N-naphthalen-1-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine;4-N-dibenzothiophen-2-yl-2-N'-naphthalen-1-yl-2-N',4-N-diphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 161223026
N-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-3-yl)dibenzofuran-4-amine
CID 121424840
4-N'-dibenzofuran-4-yl-3-N-dibenzothiophen-2-yl-3-N,4-N'-diphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3,4'-diamine;16-N-dibenzofuran-2-yl-16-N'-dibenzothiophen-2-yl-16-N,16-N'-diphenyl-9-thiaoctacyclo[13.12.1.11,17.02,10.03,8.011,28.022,27.021,29]nonacosa-2(10),3,5,7,11(28),12,14,17,19,21(29),22,24,26-tridecaene-16,16-diamine;4-N-dibenzothiophen-4-yl-3-N',3-N',4-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzothiole]-3',4-diamine
CID 159528287
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-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-4-amine
CID 121424296
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-dibenzofuran-4-yl-2-[dibenzothiophen-2-yl(phenyl)methyl]-N-phenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-4'-amine
CID 170215404
2-N,10-N'-di(dibenzofuran-2-yl)-2-N,10-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-2,10'-diamine;3-N,3-N'-di(dibenzofuran-4-yl)-3-N,3-N'-diphenylspiro[9H-indeno[1,2-a]indene-10,9'-fluorene]-3,3'-diamine;4-N,9-N'-di(dibenzothiophen-2-yl)-4-N,9-N'-diphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-4,9'-diamine
CID 157340766
3-N-dibenzofuran-4-yl-3-N,9-N',9-N'-triphenylspiro[fluorene-9,6'-indeno[2,1-b][1]benzothiole]-3,9'-diamine
CID 134530057
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-3-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-4-amine
CID 121424656
3-N-(9,9-dimethylfluoren-2-yl)-3-N,4-N',4-N'-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3,4'-diamine;3-N',4-N-diphenyl-3-N',4-N-bis(4-phenylphenyl)spiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-3',4-diamine;2-N-(4-naphthalen-1-ylphenyl)-1-N',1-N',2-N-triphenylspiro[fluorene-9,10'-indeno[1,2-b][1]benzofuran]-1',2-diamine
CID 159234703

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3c(cccc3N(c3ccccc3)c3ccc4sc5ccccc5c4c3)-c3oc4ccccc4c32)c2ccc3sc4ccccc4c3c2)cc1.c1ccc(N(c2ccc3c(c2)-c2ccccc2C32c3ccc(N(c4ccccc4)c4cccc5c4oc4ccccc45)cc3-c3oc4ccccc4c32)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccc3oc4ccccc4c3c2)c2cccc3c2-c2ccccc2C32c3cccc(N(c4ccccc4)c4ccc5oc6ccccc6c5c4)c3-c3oc4ccccc4c32)cc1.
What is the InChIKey of 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?
The InChIKey is HFPDZNGNKAKOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C63H38N2O3.C63H38N2OS2/c1-3-17-39(18-4-1)64(41-33-35-57-47(37-41)43-21-8-12-30-54(43)66-57)52-28-15-26-50-59(52)45-23-7-11-25-49(45)63(50)51-27-16-29-53(60(51)62-61(63)46-24-10-14-32-56(46)68-62)65(40-19-5-2-6-20-40)42-34-36-58-48(38-42)44-22-9-13-31-55(44)67-58;1-3-17-39(18-4-1)64(54-28-15-25-46-44-22-8-12-30-56(44)66-60(46)54)41-33-35-52-49(37-41)43-21-7-11-27-51(43)63(52)53-36-34-42(38-50(53)62-59(63)48-24-10-14-32-58(48)68-62)65(40-19-5-2-6-20-40)55-29-16-26-47-45-23-9-13-31-57(45)67-61(47)55;1-3-16-39(17-4-1)64(42-31-34-58-50(37-42)45-21-9-13-28-56(45)67-58)41-30-33-53-49(36-41)44-20-7-11-25-52(44)63(53)60-48(62-61(63)47-23-8-12-27-55(47)66-62)24-15-26-54(60)65(40-18-5-2-6-19-40)43-32-35-59-51(38-43)46-22-10-14-29-57(46)68-59/h3*1-38H.
What are the key properties of 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?
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 has a molecular weight of 2645.16 g/mol, XLogP of 53.48, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158464585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).