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

C65H49NS — CID 156568159

IUPACN-(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
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-c6ccc7c(c6)-c6ccccc6C76C7CC8CC9CC6C9(C8)C7)c5)cc4)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C65H49NS/c1-2-9-42(10-3-1)44-21-26-52(27-22-44)66(54-30-32-62-58(38-54)56-14-5-7-16-61(56)67-62)53-28-23-45(24-29-53)43-17-19-46(20-18-43)47-11-8-12-48(35-47)49-25-31-60-57(36-49)55-13-4-6-15-59(55)65(60)51-34-41-33-50-37-63(65)64(50,39-41)40-51/h1-32,35-36,38,41,50-51,63H,33-34,37,39-40H2
InChIKeyRJEGNTLUDBNOPU-UHFFFAOYSA-N
MW876.18 g/mol
LogP17.91
Rot. Bonds7

About 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

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 (PubChem CID 156568159) has the molecular formula C65H49NS and a molecular weight of 876.18 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID156568159
Molecular FormulaC65H49NS
Molecular Weight876.18 g/mol
Exact Mass875.36
IUPAC NameN-(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
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-c6ccc7c(c6)-c6ccccc6C76C7CC8CC9CC6C9(C8)C7)c5)cc4)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C65H49NS/c1-2-9-42(10-3-1)44-21-26-52(27-22-44)66(54-30-32-62-58(38-54)56-14-5-7-16-61(56)67-62)53-28-23-45(24-29-53)43-17-19-46(20-18-43)47-11-8-12-48(35-47)49-25-31-60-57(36-49)55-13-4-6-15-59(55)65(60)51-34-41-33-50-37-63(65)64(50,39-41)40-51/h1-32,35-36,38,41,50-51,63H,33-34,37,39-40H2
InChIKeyRJEGNTLUDBNOPU-UHFFFAOYSA-N
XLogP17.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.18
LogP ≤ 517.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine
CID 156568185
N-(4-carbazol-9-ylphenyl)-4-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)aniline
CID 156567839
9,9-dimethyl-N-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)fluoren-2-amine
CID 156567857
9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylcarbazol-2-amine
CID 156567473
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
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508657
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
N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-(4-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine
CID 158962304
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine
CID 156568022
N-dibenzofuran-3-yl-9-phenyl-N-(4-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylphenyl)carbazol-2-amine
CID 156567588
N,N-bis(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-3'-amine;N-dibenzofuran-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine;N-dibenzothiophen-2-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzothiophen-2-amine;methane
CID 163636207
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5cccc(-c6ccc7c(c6)-c6ccccc6C76C7CC8CC9CC6C9(C8)C7)c5)cc4)cc3)c3ccc4sc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is RJEGNTLUDBNOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H49NS/c1-2-9-42(10-3-1)44-21-26-52(27-22-44)66(54-30-32-62-58(38-54)56-14-5-7-16-61(56)67-62)53-28-23-45(24-29-53)43-17-19-46(20-18-43)47-11-8-12-48(35-47)49-25-31-60-57(36-49)55-13-4-6-15-59(55)65(60)51-34-41-33-50-37-63(65)64(50,39-41)40-51/h1-32,35-36,38,41,50-51,63H,33-34,37,39-40H2.
What are the key properties of 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?
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 has a molecular weight of 876.18 g/mol, XLogP of 17.91, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156568159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).