N-dibenzothiophen-3-yl-N-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-yldibenzofuran-2-amine

C47H37NOS — CID 155399720

IUPACN-dibenzothiophen-3-yl-N-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-yldibenzofuran-2-amine
SMILESc1ccc2c(c1)-c1ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4oc5ccccc5c4c3)cc1C21CC2CCC3CC2CC1C3
InChIInChI=1S/C47H37NOS/c1-4-10-41-35(7-1)36-18-15-33(25-42(36)47(41)27-29-14-13-28-21-30(29)23-31(47)22-28)48(32-17-20-44-40(24-32)37-8-2-5-11-43(37)49-44)34-16-19-39-38-9-3-6-12-45(38)50-46(39)26-34/h1-12,15-20,24-26,28-31H,13-14,21-23,27H2
InChIKeyGIPYVKSYDKJLFG-UHFFFAOYSA-N
MW663.89 g/mol
LogP13.54
Rot. Bonds3

About N-dibenzothiophen-3-yl-N-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-yldibenzofuran-2-amine

N-dibenzothiophen-3-yl-N-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-yldibenzofuran-2-amine (PubChem CID 155399720) has the molecular formula C47H37NOS and a molecular weight of 663.89 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-yldibenzofuran-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-yldibenzofuran-2-amine
PubChem CID155399720
Molecular FormulaC47H37NOS
Molecular Weight663.89 g/mol
Exact Mass663.26
IUPAC NameN-dibenzothiophen-3-yl-N-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-yldibenzofuran-2-amine
SMILESc1ccc2c(c1)-c1ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4oc5ccccc5c4c3)cc1C21CC2CCC3CC2CC1C3
InChIInChI=1S/C47H37NOS/c1-4-10-41-35(7-1)36-18-15-33(25-42(36)47(41)27-29-14-13-28-21-30(29)23-31(47)22-28)48(32-17-20-44-40(24-32)37-8-2-5-11-43(37)49-44)34-16-19-39-38-9-3-6-12-45(38)50-46(39)26-34/h1-12,15-20,24-26,28-31H,13-14,21-23,27H2
InChIKeyGIPYVKSYDKJLFG-UHFFFAOYSA-N
XLogP13.54
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.89
LogP ≤ 513.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine
CID 166508773
N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-yldibenzofuran-3-amine
CID 168722506
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)-7-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-2-amine
CID 156568022
N-(9,9-dimethylfluoren-2-yl)-N-(35-thiaoctacyclo[24.11.0.02,7.08,13.014,19.020,25.028,36.029,34]heptatriaconta-1(26),2,4,6,8,10,12,14,16,18,20(25),21,23,27,29,31,33,36-octadecaen-22-yl)dibenzofuran-2-amine
CID 130464947
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508657
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-dibenzothiophen-2-yl-N-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)dibenzofuran-2-amine
CID 163652161
N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzofuran-3-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-2-amine;N-phenyl-N-spiro[adamantane-2,9'-fluorene]-1'-yldibenzothiophen-3-amine
CID 163870746
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-phenyl-N-(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-3-amine
CID 166508563
N-(4-phenylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-amine
CID 170121119
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine
CID 165165088

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-yldibenzofuran-2-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-yldibenzofuran-2-amine (CID 155399720) is N-dibenzothiophen-3-yl-N-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-yldibenzofuran-2-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-yldibenzofuran-2-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-yldibenzofuran-2-amine is c1ccc2c(c1)-c1ccc(N(c3ccc4c(c3)sc3ccccc34)c3ccc4oc5ccccc5c4c3)cc1C21CC2CCC3CC2CC1C3.
What is the InChIKey of N-dibenzothiophen-3-yl-N-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-yldibenzofuran-2-amine?
The InChIKey is GIPYVKSYDKJLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H37NOS/c1-4-10-41-35(7-1)36-18-15-33(25-42(36)47(41)27-29-14-13-28-21-30(29)23-31(47)22-28)48(32-17-20-44-40(24-32)37-8-2-5-11-43(37)49-44)34-16-19-39-38-9-3-6-12-45(38)50-46(39)26-34/h1-12,15-20,24-26,28-31H,13-14,21-23,27H2.
What are the key properties of N-dibenzothiophen-3-yl-N-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-yldibenzofuran-2-amine?
N-dibenzothiophen-3-yl-N-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-yldibenzofuran-2-amine has a molecular weight of 663.89 g/mol, XLogP of 13.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-N-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-yldibenzofuran-2-amine is sourced from PubChem (CID 155399720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).