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

C58H37NO2S — CID 138581679

IUPACN-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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc4c3Oc3cc5c(cc3O4)-c3ccccc3C53c4ccccc4-c4ccccc43)c3cccc4c3sc3ccccc34)cc21
InChIInChI=1S/C58H37NO2S/c1-57(2)43-21-8-3-15-35(43)39-30-29-34(31-47(39)57)59(50-26-13-20-41-40-19-7-12-28-54(40)62-56(41)50)49-25-14-27-51-55(49)61-53-33-48-42(32-52(53)60-51)38-18-6-11-24-46(38)58(48)44-22-9-4-16-36(44)37-17-5-10-23-45(37)58/h3-33H,1-2H3
InChIKeyUJWQFMYLFMYTBT-UHFFFAOYSA-N
MW812.01 g/mol
LogP16.07
Rot. Bonds3

About 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

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 (PubChem CID 138581679) has the molecular formula C58H37NO2S and a molecular weight of 812.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID138581679
Molecular FormulaC58H37NO2S
Molecular Weight812.01 g/mol
Exact Mass811.25
IUPAC NameN-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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc4c3Oc3cc5c(cc3O4)-c3ccccc3C53c4ccccc4-c4ccccc43)c3cccc4c3sc3ccccc34)cc21
InChIInChI=1S/C58H37NO2S/c1-57(2)43-21-8-3-15-35(43)39-30-29-34(31-47(39)57)59(50-26-13-20-41-40-19-7-12-28-54(40)62-56(41)50)49-25-14-27-51-55(49)61-53-33-48-42(32-52(53)60-51)38-18-6-11-24-46(38)58(48)44-22-9-4-16-36(44)37-17-5-10-23-45(37)58/h3-33H,1-2H3
InChIKeyUJWQFMYLFMYTBT-UHFFFAOYSA-N
XLogP16.07
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.01
LogP ≤ 516.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 167176690
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-amine
CID 170138695
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-xanthene]-4-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475881
N-(2-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 167176515
N-dibenzothiophen-4-yl-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476738
N-dibenzothiophen-1-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluoreno[2,3-b][1]benzothiole-7,9'-xanthene]-1-amine
CID 162771384
2-N',7-N'-di(dibenzothiophen-4-yl)-2-N',7-N'-diphenylspiro[fluorene-9,9'-xanthene]-2',7'-diamine
CID 167178046
N-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 90154222
2-N'-dibenzothiophen-4-yl-2-N'-(9,9-dimethylfluoren-2-yl)-2-N-(2,3,4,5,6-pentadeuteriophenyl)-2-N-phenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791436
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluoreno[2,3-b][1]benzothiole-7,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
CID 130463448
3'-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-1-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 158833801
2-N',7-N'-di(dibenzothiophen-4-yl)-2-N',7-N'-bis(3,5-difluorophenyl)-9,9-dimethylspiro[anthracene-10,9'-fluorene]-2',7'-diamine
CID 163701343

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3cccc4c3Oc3cc5c(cc3O4)-c3ccccc3C53c4ccccc4-c4ccccc43)c3cccc4c3sc3ccccc34)cc21.
What is the InChIKey of 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?
The InChIKey is UJWQFMYLFMYTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO2S/c1-57(2)43-21-8-3-15-35(43)39-30-29-34(31-47(39)57)59(50-26-13-20-41-40-19-7-12-28-54(40)62-56(41)50)49-25-14-27-51-55(49)61-53-33-48-42(32-52(53)60-51)38-18-6-11-24-46(38)58(48)44-22-9-4-16-36(44)37-17-5-10-23-45(37)58/h3-33H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 812.01 g/mol, XLogP of 16.07, 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-(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 is sourced from PubChem (CID 138581679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).