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

C210H135N3S3 — CID 158833801

IUPAC3'-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
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3cccc5c3sc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)ccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3cccc5c3sc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)cc21.CC1(C)c2ccccc2-c2cccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3cccc5c3sc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)c21
InChIInChI=1S/3C70H45NS/c1-69(2)59-31-12-7-25-50(59)53-28-18-35-64(67(53)69)71(42-37-38-47-45-21-4-3-19-43(45)44-20-5-6-22-46(44)56(47)39-42)65-41-63-57(40-58(65)55-30-17-29-54-52-27-11-16-36-66(52)72-68(54)55)51-26-10-15-34-62(51)70(63)60-32-13-8-23-48(60)49-24-9-14-33-61(49)70;1-69(2)60-29-12-7-24-51(60)57-39-43(35-37-61(57)69)71(42-34-36-48-46-20-4-3-18-44(46)45-19-5-6-21-47(45)56(48)38-42)66-41-65-58(40-59(66)55-28-17-27-54-53-26-11-16-33-67(53)72-68(54)55)52-25-10-15-32-64(52)70(65)62-30-13-8-22-49(62)50-23-9-14-31-63(50)70;1-69(2)60-29-12-7-22-49(60)53-37-35-43(39-64(53)69)71(42-34-36-48-46-20-4-3-18-44(46)45-19-5-6-21-47(45)57(48)38-42)66-41-65-58(40-59(66)56-28-17-27-55-54-26-11-16-33-67(54)72-68(55)56)52-25-10-15-32-63(52)70(65)61-30-13-8-23-50(61)51-24-9-14-31-62(51)70/h3*3-41H,1-2H3
InChIKeyIXJKXCNORJUJKI-UHFFFAOYSA-N
MW2796.61 g/mol
LogP57.90
Rot. Bonds12

About 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

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 (PubChem CID 158833801) has the molecular formula C210H135N3S3 and a molecular weight of 2796.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3'-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
PubChem CID158833801
Molecular FormulaC210H135N3S3
Molecular Weight2796.61 g/mol
Exact Mass2793.98
IUPAC Name3'-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
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3cccc5c3sc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)ccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3cccc5c3sc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)cc21.CC1(C)c2ccccc2-c2cccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3cccc5c3sc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)c21
InChIInChI=1S/3C70H45NS/c1-69(2)59-31-12-7-25-50(59)53-28-18-35-64(67(53)69)71(42-37-38-47-45-21-4-3-19-43(45)44-20-5-6-22-46(44)56(47)39-42)65-41-63-57(40-58(65)55-30-17-29-54-52-27-11-16-36-66(52)72-68(54)55)51-26-10-15-34-62(51)70(63)60-32-13-8-23-48(60)49-24-9-14-33-61(49)70;1-69(2)60-29-12-7-24-51(60)57-39-43(35-37-61(57)69)71(42-34-36-48-46-20-4-3-18-44(46)45-19-5-6-21-47(45)56(48)38-42)66-41-65-58(40-59(66)55-28-17-27-54-53-26-11-16-33-67(53)72-68(54)55)52-25-10-15-32-64(52)70(65)62-30-13-8-22-49(62)50-23-9-14-31-63(50)70;1-69(2)60-29-12-7-22-49(60)53-37-35-43(39-64(53)69)71(42-34-36-48-46-20-4-3-18-44(46)45-19-5-6-21-47(45)57(48)38-42)66-41-65-58(40-59(66)56-28-17-27-55-54-26-11-16-33-67(54)72-68(55)56)52-25-10-15-32-63(52)70(65)61-30-13-8-23-50(61)51-24-9-14-31-62(51)70/h3*3-41H,1-2H3
InChIKeyIXJKXCNORJUJKI-UHFFFAOYSA-N
XLogP57.90
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms216
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002796.61
LogP ≤ 557.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

3'-dibenzothiophen-4-yl-N,N-di(triphenylen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 138728990
N-(2-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-3-amine
CID 167176515
N-(9,9-dimethylfluoren-1-yl)-3'-(9,9-dimethylfluoren-3-yl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729362
3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclopentane-1,9'-fluorene]-4'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 160930967
3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-1'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-3'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-4'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 158539466
3'-dibenzothiophen-4-yl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 138729484
N-(2-dibenzothiophen-4-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-1-amine
CID 130308634
N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 167176690
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-triphenylen-2-ylfluoreno[4,3-b][1]benzothiol-10-amine
CID 118405309
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
N-(2-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 139568162
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-amine
CID 170138695

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3cccc5c3sc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)ccc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3cccc5c3sc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)cc21.CC1(C)c2ccccc2-c2cccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3cc4c(cc3-c3cccc5c3sc3ccccc35)-c3ccccc3C43c4ccccc4-c4ccccc43)c21.
What is the InChIKey of 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?
The InChIKey is IXJKXCNORJUJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C70H45NS/c1-69(2)59-31-12-7-25-50(59)53-28-18-35-64(67(53)69)71(42-37-38-47-45-21-4-3-19-43(45)44-20-5-6-22-46(44)56(47)39-42)65-41-63-57(40-58(65)55-30-17-29-54-52-27-11-16-36-66(52)72-68(54)55)51-26-10-15-34-62(51)70(63)60-32-13-8-23-48(60)49-24-9-14-33-61(49)70;1-69(2)60-29-12-7-24-51(60)57-39-43(35-37-61(57)69)71(42-34-36-48-46-20-4-3-18-44(46)45-19-5-6-21-47(45)56(48)38-42)66-41-65-58(40-59(66)55-28-17-27-54-53-26-11-16-33-67(53)72-68(54)55)52-25-10-15-32-64(52)70(65)62-30-13-8-22-49(62)50-23-9-14-31-63(50)70;1-69(2)60-29-12-7-22-49(60)53-37-35-43(39-64(53)69)71(42-34-36-48-46-20-4-3-18-44(46)45-19-5-6-21-47(45)57(48)38-42)66-41-65-58(40-59(66)56-28-17-27-55-54-26-11-16-33-67(54)72-68(55)56)52-25-10-15-32-63(52)70(65)61-30-13-8-23-50(61)51-24-9-14-31-62(51)70/h3*3-41H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2796.61 g/mol, XLogP of 57.90, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158833801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).