N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine

C136H78N2O2S4 — CID 163958836

IUPACN-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine
SMILESc1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2cc3c(cc21)sc1cccc(N(c2ccc4c(c2)C2(c5ccccc5-c5ccccc52)c2ccccc2-4)c2cccc4c2oc2ccccc24)c13.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2cc3c(cc21)sc1cccc(N(c2ccc4c(c2)oc2ccccc24)c2cccc4c2-c2ccccc2C42c4ccccc4-c4ccccc42)c13
InChIInChI=1S/2C68H39NOS2/c1-6-22-49-41(17-1)42-18-2-7-23-50(42)67(49)52-25-9-4-21-46(52)65-55(67)28-15-29-57(65)69(40-35-36-45-44-20-5-12-31-59(44)70-60(45)37-40)58-30-16-34-63-66(58)48-38-47-43-19-3-8-24-51(43)68(56(47)39-64(48)72-63)53-26-10-13-32-61(53)71-62-33-14-11-27-54(62)68;1-6-23-50-41(17-1)42-18-2-7-24-51(42)67(50)52-25-8-3-19-43(52)45-36-35-40(37-56(45)67)69(59-30-15-22-47-46-21-5-12-31-60(46)70-66(47)59)58-29-16-34-63-65(58)49-38-48-44-20-4-9-26-53(44)68(57(48)39-64(49)72-63)54-27-10-13-32-61(54)71-62-33-14-11-28-55(62)68/h2*1-39H
InChIKeySFSAWGIEJASYRT-UHFFFAOYSA-N
MW1900.40 g/mol
LogP37.19
Rot. Bonds6

About N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine

N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine (PubChem CID 163958836) has the molecular formula C136H78N2O2S4 and a molecular weight of 1900.40 g/mol. Its IUPAC name is N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine
PubChem CID163958836
Molecular FormulaC136H78N2O2S4
Molecular Weight1900.40 g/mol
Exact Mass1898.49
IUPAC NameN-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine
SMILESc1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2cc3c(cc21)sc1cccc(N(c2ccc4c(c2)C2(c5ccccc5-c5ccccc52)c2ccccc2-4)c2cccc4c2oc2ccccc24)c13.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2cc3c(cc21)sc1cccc(N(c2ccc4c(c2)oc2ccccc24)c2cccc4c2-c2ccccc2C42c4ccccc4-c4ccccc42)c13
InChIInChI=1S/2C68H39NOS2/c1-6-22-49-41(17-1)42-18-2-7-23-50(42)67(49)52-25-9-4-21-46(52)65-55(67)28-15-29-57(65)69(40-35-36-45-44-20-5-12-31-59(44)70-60(45)37-40)58-30-16-34-63-66(58)48-38-47-43-19-3-8-24-51(43)68(56(47)39-64(48)72-63)53-26-10-13-32-61(53)71-62-33-14-11-27-54(62)68;1-6-23-50-41(17-1)42-18-2-7-24-51(42)67(50)52-25-8-3-19-43(52)45-36-35-40(37-56(45)67)69(59-30-15-22-47-46-21-5-12-31-60(46)70-66(47)59)58-29-16-34-63-65(58)49-38-48-44-20-4-9-26-53(44)68(57(48)39-64(49)72-63)54-27-10-13-32-61(54)71-62-33-14-11-28-55(62)68/h2*1-39H
InChIKeySFSAWGIEJASYRT-UHFFFAOYSA-N
XLogP37.19
TPSA32.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms144
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001900.40
LogP ≤ 537.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine with MolForge

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine;N-(9,9-diphenylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine
CID 163426378
N-dibenzothiophen-3-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-ylspiro[fluorene-9,9'-thioxanthene]-3-amine;N-spiro[fluorene-9,9'-thioxanthene]-3-yl-N-spiro[fluorene-9,9'-thioxanthene]-4-yldibenzofuran-3-amine
CID 160729748
N-dibenzofuran-3-yl-N-(9,9-diphenylfluoren-2-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N-(9,9-diphenylfluoren-4-yl)-N-phenyl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
CID 165039173
4-N-dibenzofuran-4-yl-2-N',2-N',4-N-triphenyl-9,9'-spirobi[fluorene]-2',4-diamine
CID 140915337
N-(9,9-diphenylfluoren-2-yl)-N-phenyl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-(9,9-diphenylfluoren-4-yl)-N-phenyl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-amine
CID 164965563
N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
CID 138476092
N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-amine
CID 121424663
N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-dibenzofuran-4-yl-N-(2-methylphenyl)spiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N,N-diphenylspiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-amine;N,N-diphenylspiro[10-oxa-21-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-fluorene]-2'-amine;N-(2-methylphenyl)-N-spiro[10,21-dithiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-14,9'-fluorene]-18-yldibenzofuran-4-amine
CID 158391845
N-(2-dibenzothiophen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-4-amine
CID 176583430
N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-4-amine
CID 121424656
N-dibenzothiophen-2-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-thioxanthene]-2-amine;N,N-di(spiro[fluorene-9,9'-thioxanthene]-2-yl)dibenzofuran-3-amine
CID 159914253
N-dibenzothiophen-3-yl-N-phenylspiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-amine
CID 162771361

Frequently Asked Questions

What is the IUPAC name of N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine?
The IUPAC name of N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine (CID 163958836) is N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine.
What is the SMILES notation for N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine?
The canonical SMILES for N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine is c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2cc3c(cc21)sc1cccc(N(c2ccc4c(c2)C2(c5ccccc5-c5ccccc52)c2ccccc2-4)c2cccc4c2oc2ccccc24)c13.c1ccc2c(c1)Sc1ccccc1C21c2ccccc2-c2cc3c(cc21)sc1cccc(N(c2ccc4c(c2)oc2ccccc24)c2cccc4c2-c2ccccc2C42c4ccccc4-c4ccccc42)c13.
What is the InChIKey of N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine?
The InChIKey is SFSAWGIEJASYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C68H39NOS2/c1-6-22-49-41(17-1)42-18-2-7-23-50(42)67(49)52-25-9-4-21-46(52)65-55(67)28-15-29-57(65)69(40-35-36-45-44-20-5-12-31-59(44)70-60(45)37-40)58-30-16-34-63-66(58)48-38-47-43-19-3-8-24-51(43)68(56(47)39-64(48)72-63)53-26-10-13-32-61(53)71-62-33-14-11-27-54(62)68;1-6-23-50-41(17-1)42-18-2-7-24-51(42)67(50)52-25-8-3-19-43(52)45-36-35-40(37-56(45)67)69(59-30-15-22-47-46-21-5-12-31-60(46)70-66(47)59)58-29-16-34-63-65(58)49-38-48-44-20-4-9-26-53(44)68(57(48)39-64(49)72-63)54-27-10-13-32-61(54)71-62-33-14-11-28-55(62)68/h2*1-39H.
What are the key properties of N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine?
N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine has a molecular weight of 1900.40 g/mol, XLogP of 37.19, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9'-spirobi[fluorene]-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-4-amine;N-(9,9'-spirobi[fluorene]-4-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,9'-thioxanthene]-1-yldibenzofuran-3-amine is sourced from PubChem (CID 163958836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).