N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-18'-ylaniline

C61H39NO2S — CID 138581553

IUPACN-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-18'-ylaniline
SMILESC1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2cc3c(cc21)Oc1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c4cccc5c4sc4ccccc45)cc2)cc1O3
InChIInChI=1S/C61H39NO2S/c1-2-15-40(16-3-1)62(41-32-29-38(30-33-41)43-22-14-23-48-47-21-8-13-28-59(47)65-60(43)48)54-27-12-7-17-42(54)39-31-34-55-56(35-39)64-57-36-49-46-20-6-11-26-52(46)61(53(49)37-58(57)63-55)50-24-9-4-18-44(50)45-19-5-10-25-51(45)61/h1-9,11-24,26-37H,10,25H2
InChIKeyBXXGEOYZKKCUCC-UHFFFAOYSA-N
MW850.06 g/mol
LogP17.19
Rot. Bonds5

About N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-18'-ylaniline

N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-18'-ylaniline (PubChem CID 138581553) has the molecular formula C61H39NO2S and a molecular weight of 850.06 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-18'-ylaniline.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-18'-ylaniline
PubChem CID138581553
Molecular FormulaC61H39NO2S
Molecular Weight850.06 g/mol
Exact Mass849.27
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-18'-ylaniline
SMILESC1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2cc3c(cc21)Oc1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c4cccc5c4sc4ccccc45)cc2)cc1O3
InChIInChI=1S/C61H39NO2S/c1-2-15-40(16-3-1)62(41-32-29-38(30-33-41)43-22-14-23-48-47-21-8-13-28-59(47)65-60(43)48)54-27-12-7-17-42(54)39-31-34-55-56(35-39)64-57-36-49-46-20-6-11-26-52(46)61(53(49)37-58(57)63-55)50-24-9-4-18-44(50)45-19-5-10-25-51(45)61/h1-9,11-24,26-37H,10,25H2
InChIKeyBXXGEOYZKKCUCC-UHFFFAOYSA-N
XLogP17.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.06
LogP ≤ 517.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-18'-ylaniline with MolForge

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Related Compounds

2-phenyl-N-(4-phenylphenyl)-N-(2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene]-17'-ylphenyl)aniline
CID 138581234
N-(2-phenylphenyl)-N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-16'-amine
CID 138581502
N-phenyl-N-(4-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-17'-ylphenyl)naphthalen-2-amine
CID 138583044
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122675301
2-[3-(N-(4-dibenzothiophen-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline
CID 167086686
2-N',7-N'-di(dibenzothiophen-4-yl)-2-N',7-N'-diphenylspiro[fluorene-9,9'-xanthene]-2',7'-diamine
CID 167178046
N-(2-dibenzothiophen-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 118298589
N-(2-dibenzofuran-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-(2-dibenzofuran-4-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine;N-(2-dibenzothiophen-4-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 160775781
N-(2-phenylphenyl)-N-(4-phenylphenyl)-4-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 140919200
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 140919295
N-cyclohexa-1,3-dien-1-yl-N-(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,11,15(20),16,18-octaene-10,9'-fluorene]-18-amine
CID 138581498
N-(4-dibenzothiophen-4-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168789441

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-18'-ylaniline?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-18'-ylaniline (CID 138581553) is N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-18'-ylaniline.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-18'-ylaniline?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-18'-ylaniline is C1=CC2=C(CC1)C1(c3ccccc32)c2ccccc2-c2cc3c(cc21)Oc1ccc(-c2ccccc2N(c2ccccc2)c2ccc(-c4cccc5c4sc4ccccc45)cc2)cc1O3.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-18'-ylaniline?
The InChIKey is BXXGEOYZKKCUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H39NO2S/c1-2-15-40(16-3-1)62(41-32-29-38(30-33-41)43-22-14-23-48-47-21-8-13-28-59(47)65-60(43)48)54-27-12-7-17-42(54)39-31-34-55-56(35-39)64-57-36-49-46-20-6-11-26-52(46)61(53(49)37-58(57)63-55)50-24-9-4-18-44(50)45-19-5-10-25-51(45)61/h1-9,11-24,26-37H,10,25H2.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-18'-ylaniline?
N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-18'-ylaniline has a molecular weight of 850.06 g/mol, XLogP of 17.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylphenyl)-N-phenyl-2-spiro[1,2-dihydrofluorene-9,10'-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene]-18'-ylaniline is sourced from PubChem (CID 138581553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).