N-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine

C37H29NS — CID 166508773

IUPACN-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(CC4CCC2C4)c2ccccc2-3)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C37H29NS/c1-2-8-26(9-3-1)38(27-17-19-36-32(21-27)31-11-5-7-13-35(31)39-36)28-16-18-30-29-10-4-6-12-33(29)37(34(30)22-28)23-24-14-15-25(37)20-24/h1-13,16-19,21-22,24-25H,14-15,20,23H2
InChIKeyGZCQILGGEHZERF-UHFFFAOYSA-N
MW519.71 g/mol
LogP10.61
Rot. Bonds3

About N-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine

N-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine (PubChem CID 166508773) has the molecular formula C37H29NS and a molecular weight of 519.71 g/mol. Its IUPAC name is N-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine.

Molecular Properties

Compound NameN-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine
PubChem CID166508773
Molecular FormulaC37H29NS
Molecular Weight519.71 g/mol
Exact Mass519.20
IUPAC NameN-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine
SMILESc1ccc(N(c2ccc3c(c2)C2(CC4CCC2C4)c2ccccc2-3)c2ccc3sc4ccccc4c3c2)cc1
InChIInChI=1S/C37H29NS/c1-2-8-26(9-3-1)38(27-17-19-36-32(21-27)31-11-5-7-13-35(31)39-36)28-16-18-30-29-10-4-6-12-33(29)37(34(30)22-28)23-24-14-15-25(37)20-24/h1-13,16-19,21-22,24-25H,14-15,20,23H2
InChIKeyGZCQILGGEHZERF-UHFFFAOYSA-N
XLogP10.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.71
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508657
N-phenyl-N-(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-3-amine
CID 166508563
N-(2-phenylphenyl)-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylphenyl)dibenzothiophen-2-amine
CID 166508757
N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508547
N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]dibenzothiophen-2-amine
CID 168810457
N-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508502
N-(9,9-diphenylfluoren-2-yl)-N-phenyldibenzothiophen-2-amine
CID 118298288
N-naphthalen-2-yl-N-phenanthren-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508521
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)phenyl]aniline
CID 166508560
N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508585
N-dibenzothiophen-3-yl-N-spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-2-yldibenzofuran-2-amine
CID 155399720
N,N-bis(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-2-amine
CID 118298519

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine?
The IUPAC name of N-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine (CID 166508773) is N-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine.
What is the SMILES notation for N-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine?
The canonical SMILES for N-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine is c1ccc(N(c2ccc3c(c2)C2(CC4CCC2C4)c2ccccc2-3)c2ccc3sc4ccccc4c3c2)cc1.
What is the InChIKey of N-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine?
The InChIKey is GZCQILGGEHZERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29NS/c1-2-8-26(9-3-1)38(27-17-19-36-32(21-27)31-11-5-7-13-35(31)39-36)28-16-18-30-29-10-4-6-12-33(29)37(34(30)22-28)23-24-14-15-25(37)20-24/h1-13,16-19,21-22,24-25H,14-15,20,23H2.
What are the key properties of N-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine?
N-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine has a molecular weight of 519.71 g/mol, XLogP of 10.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine is sourced from PubChem (CID 166508773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).