N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylphenyl)dibenzothiophen-3-amine

C58H43NS — CID 156567823

IUPACN-(4-phenylphenyl)-N-(3-phenyl-4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC7CC4C75C6)c(-c4ccccc4)c3)c3ccc4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C58H43NS/c1-3-11-37(12-4-1)38-19-22-42(23-20-38)59(44-25-27-48-47-16-8-10-18-53(47)60-54(48)34-44)43-24-26-45(49(33-43)39-13-5-2-6-14-39)40-21-28-52-50(31-40)46-15-7-9-17-51(46)58(52)55-30-36-29-41-32-56(58)57(41,55)35-36/h1-28,31,33-34,36,41,55-56H,29-30,32,35H2
InChIKeyRBGAXSLALKCTFY-UHFFFAOYSA-N
MW786.06 g/mol
LogP15.86
Rot. Bonds6

About N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylphenyl)dibenzothiophen-3-amine

N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylphenyl)dibenzothiophen-3-amine (PubChem CID 156567823) has the molecular formula C58H43NS and a molecular weight of 786.06 g/mol. Its IUPAC name is N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(4-phenylphenyl)-N-(3-phenyl-4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylphenyl)dibenzothiophen-3-amine
PubChem CID156567823
Molecular FormulaC58H43NS
Molecular Weight786.06 g/mol
Exact Mass785.31
IUPAC NameN-(4-phenylphenyl)-N-(3-phenyl-4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC7CC4C75C6)c(-c4ccccc4)c3)c3ccc4c(c3)sc3ccccc34)cc2)cc1
InChIInChI=1S/C58H43NS/c1-3-11-37(12-4-1)38-19-22-42(23-20-38)59(44-25-27-48-47-16-8-10-18-53(47)60-54(48)34-44)43-24-26-45(49(33-43)39-13-5-2-6-14-39)40-21-28-52-50(31-40)46-15-7-9-17-51(46)58(52)55-30-36-29-41-32-56(58)57(41,55)35-36/h1-28,31,33-34,36,41,55-56H,29-30,32,35H2
InChIKeyRBGAXSLALKCTFY-UHFFFAOYSA-N
XLogP15.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.06
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylphenyl)dibenzothiophen-3-amine with MolForge

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Related Compounds

N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 158962304
N-(4-phenylphenyl)-N-[4-[4-(3-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)phenyl]phenyl]dibenzothiophen-2-amine
CID 156568159
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine
CID 156568022
3-bromo-7-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-yldibenzothiophene
CID 156573307
N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yl-N-(4-triphenylsilylphenyl)dibenzothiophen-2-amine
CID 157099087
N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzothiophen-3-amine
CID 158482387
N,N-bis(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N,N-bis(4-phenylphenyl)-8-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine
CID 159214980
1-N-dibenzothiophen-3-yl-1-N,6-N-diphenyl-6-N-spiro[adamantane-2,9'-fluorene]-3'-ylpyrene-1,6-diamine
CID 166050424
N-(3,4-diphenylphenyl)-N-(4-naphthalen-1-ylphenyl)-7-spiro[adamantane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine
CID 163486217
N-phenyl-N-(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-3-amine
CID 166508563
6-(4-carbazol-9-ylphenyl)-7-methyl-N,N-bis(4-phenylphenyl)spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-amine
CID 156578406
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508657

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylphenyl)dibenzothiophen-3-amine (CID 156567823) is N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylphenyl)dibenzothiophen-3-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)-c4ccccc4C54C5CC6CC7CC4C75C6)c(-c4ccccc4)c3)c3ccc4c(c3)sc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylphenyl)dibenzothiophen-3-amine?
The InChIKey is RBGAXSLALKCTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43NS/c1-3-11-37(12-4-1)38-19-22-42(23-20-38)59(44-25-27-48-47-16-8-10-18-53(47)60-54(48)34-44)43-24-26-45(49(33-43)39-13-5-2-6-14-39)40-21-28-52-50(31-40)46-15-7-9-17-51(46)58(52)55-30-36-29-41-32-56(58)57(41,55)35-36/h1-28,31,33-34,36,41,55-56H,29-30,32,35H2.
What are the key properties of N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylphenyl)dibenzothiophen-3-amine?
N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylphenyl)dibenzothiophen-3-amine has a molecular weight of 786.06 g/mol, XLogP of 15.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-N-(3-phenyl-4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 156567823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).