N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine

C47H35NS — CID 166508585

IUPACN-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
SMILESc1ccc2c(c1)-c1c(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4ccccc4c3)cccc1C21CC2CCC1C2
InChIInChI=1S/C47H35NS/c1-2-9-33-27-37(24-19-31(33)8-1)48(36-22-17-32(18-23-36)34-20-25-45-40(28-34)38-10-4-6-15-44(38)49-45)43-14-7-13-42-46(43)39-11-3-5-12-41(39)47(42)29-30-16-21-35(47)26-30/h1-15,17-20,22-25,27-28,30,35H,16,21,26,29H2
InChIKeyDQFJJJSDJZWYHV-UHFFFAOYSA-N
MW645.87 g/mol
LogP13.43
Rot. Bonds4

About N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine

N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine (PubChem CID 166508585) has the molecular formula C47H35NS and a molecular weight of 645.87 g/mol. Its IUPAC name is N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
PubChem CID166508585
Molecular FormulaC47H35NS
Molecular Weight645.87 g/mol
Exact Mass645.25
IUPAC NameN-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
SMILESc1ccc2c(c1)-c1c(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4ccccc4c3)cccc1C21CC2CCC1C2
InChIInChI=1S/C47H35NS/c1-2-9-33-27-37(24-19-31(33)8-1)48(36-22-17-32(18-23-36)34-20-25-45-40(28-34)38-10-4-6-15-44(38)49-45)43-14-7-13-42-46(43)39-11-3-5-12-41(39)47(42)29-30-16-21-35(47)26-30/h1-15,17-20,22-25,27-28,30,35H,16,21,26,29H2
InChIKeyDQFJJJSDJZWYHV-UHFFFAOYSA-N
XLogP13.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.87
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylphenyl)-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine
CID 166508757
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508657
N-(9,9-dimethylfluoren-4-yl)-N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
CID 177113961
N-phenanthren-2-yl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 170117747
N-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508488
N-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine
CID 166508773
N-(2',7'-dicyclohexyl-9,9'-spirobi[fluorene]-4-yl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzothiophen-2-amine
CID 177114039
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 167325892
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)fluoren-4-amine
CID 170043131
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-2-[2-(2-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline
CID 170118198
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508775
N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501643

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine?
The IUPAC name of N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine (CID 166508585) is N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine.
What is the SMILES notation for N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine?
The canonical SMILES for N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine is c1ccc2c(c1)-c1c(N(c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)c3ccc4ccccc4c3)cccc1C21CC2CCC1C2.
What is the InChIKey of N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine?
The InChIKey is DQFJJJSDJZWYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35NS/c1-2-9-33-27-37(24-19-31(33)8-1)48(36-22-17-32(18-23-36)34-20-25-45-40(28-34)38-10-4-6-15-44(38)49-45)43-14-7-13-42-46(43)39-11-3-5-12-41(39)47(42)29-30-16-21-35(47)26-30/h1-15,17-20,22-25,27-28,30,35H,16,21,26,29H2.
What are the key properties of N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine?
N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine has a molecular weight of 645.87 g/mol, XLogP of 13.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine is sourced from PubChem (CID 166508585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).