N-phenyl-N-[4-[3-(15-thia-8-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-19-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine

C65H40N2S — CID 163459622

IUPACN-phenyl-N-[4-[3-(15-thia-8-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-19-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc(-c4ccc5sc6c7cccc8c7c(cc6c5c4)-c4ccccc4N8)c3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C65H40N2S/c1-2-16-44(17-3-1)67(46-33-34-50-49-20-6-10-25-58(49)65(59(50)38-46)56-23-8-4-18-47(56)48-19-5-9-24-57(48)65)45-31-28-40(29-32-45)41-14-12-15-42(36-41)43-30-35-62-53(37-43)55-39-54-51-21-7-11-26-60(51)66-61-27-13-22-52(63(54)61)64(55)68-62/h1-39,66H
InChIKeyBNLVKIIEKKUQGF-UHFFFAOYSA-N
MW881.12 g/mol
LogP18.08
Rot. Bonds5

About N-phenyl-N-[4-[3-(15-thia-8-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-19-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine

N-phenyl-N-[4-[3-(15-thia-8-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-19-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine (PubChem CID 163459622) has the molecular formula C65H40N2S and a molecular weight of 881.12 g/mol. Its IUPAC name is N-phenyl-N-[4-[3-(15-thia-8-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-19-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[3-(15-thia-8-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-19-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
PubChem CID163459622
Molecular FormulaC65H40N2S
Molecular Weight881.12 g/mol
Exact Mass880.29
IUPAC NameN-phenyl-N-[4-[3-(15-thia-8-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-19-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
SMILESc1ccc(N(c2ccc(-c3cccc(-c4ccc5sc6c7cccc8c7c(cc6c5c4)-c4ccccc4N8)c3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1
InChIInChI=1S/C65H40N2S/c1-2-16-44(17-3-1)67(46-33-34-50-49-20-6-10-25-58(49)65(59(50)38-46)56-23-8-4-18-47(56)48-19-5-9-24-57(48)65)45-31-28-40(29-32-45)41-14-12-15-42(36-41)43-30-35-62-53(37-43)55-39-54-51-21-7-11-26-60(51)66-61-27-13-22-52(63(54)61)64(55)68-62/h1-39,66H
InChIKeyBNLVKIIEKKUQGF-UHFFFAOYSA-N
XLogP18.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.12
LogP ≤ 518.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-phenyl-N-[4-[3-(15-thia-8-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-19-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine with MolForge

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Related Compounds

5-(3-dibenzothiophen-2-ylphenyl)-1-N,3-N-diphenyl-1-N-(4-phenylphenyl)-3-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine
CID 134471524
N-(4-naphtho[1,2-b][1]benzothiol-5-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118910861
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 139404238
N,4-diphenyl-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[2-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-4-yl]phenyl]aniline
CID 159227024
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391793
2-N,2-N,2-N'-tris(4-phenylphenyl)-2-N'-[4-[3-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2,2'-diamine
CID 138662093
N-[4-(8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 129133997
N-(3-dibenzothiophen-2-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240364
N-phenyl-N-(4-triphenylen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 134567998
N-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-naphtho[1,2-b][1]benzothiol-5-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(4-naphtho[2,1-b][1]benzothiol-5-ylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157223222
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 168766908
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 122675301

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[3-(15-thia-8-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-19-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of N-phenyl-N-[4-[3-(15-thia-8-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-19-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine (CID 163459622) is N-phenyl-N-[4-[3-(15-thia-8-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-19-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for N-phenyl-N-[4-[3-(15-thia-8-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-19-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for N-phenyl-N-[4-[3-(15-thia-8-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-19-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine is c1ccc(N(c2ccc(-c3cccc(-c4ccc5sc6c7cccc8c7c(cc6c5c4)-c4ccccc4N8)c3)cc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2-3)cc1.
What is the InChIKey of N-phenyl-N-[4-[3-(15-thia-8-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-19-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is BNLVKIIEKKUQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H40N2S/c1-2-16-44(17-3-1)67(46-33-34-50-49-20-6-10-25-58(49)65(59(50)38-46)56-23-8-4-18-47(56)48-19-5-9-24-57(48)65)45-31-28-40(29-32-45)41-14-12-15-42(36-41)43-30-35-62-53(37-43)55-39-54-51-21-7-11-26-60(51)66-61-27-13-22-52(63(54)61)64(55)68-62/h1-39,66H.
What are the key properties of N-phenyl-N-[4-[3-(15-thia-8-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-19-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine?
N-phenyl-N-[4-[3-(15-thia-8-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-19-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 881.12 g/mol, XLogP of 18.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[3-(15-thia-8-azahexacyclo[11.10.1.02,7.09,24.014,22.016,21]tetracosa-1(24),2,4,6,9,11,13,16(21),17,19,22-undecaen-19-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 163459622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).