N-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine

C37H31N — CID 166508502

IUPACN-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(c2)C2(CC4CCC2C4)c2ccccc2-3)cc1
InChIInChI=1S/C37H31N/c1-3-11-27(12-4-1)31-15-8-10-18-36(31)38(29-13-5-2-6-14-29)30-21-22-33-32-16-7-9-17-34(32)37(35(33)24-30)25-26-19-20-28(37)23-26/h1-18,21-22,24,26,28H,19-20,23,25H2
InChIKeyJXMKEKZLXFAEFZ-UHFFFAOYSA-N
MW489.66 g/mol
LogP9.91
Rot. Bonds4

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

N-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine (PubChem CID 166508502) has the molecular formula C37H31N and a molecular weight of 489.66 g/mol. Its IUPAC name is N-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
PubChem CID166508502
Molecular FormulaC37H31N
Molecular Weight489.66 g/mol
Exact Mass489.25
IUPAC NameN-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(c2)C2(CC4CCC2C4)c2ccccc2-3)cc1
InChIInChI=1S/C37H31N/c1-3-11-27(12-4-1)31-15-8-10-18-36(31)38(29-13-5-2-6-14-29)30-21-22-33-32-16-7-9-17-34(32)37(35(33)24-30)25-26-19-20-28(37)23-26/h1-18,21-22,24,26,28H,19-20,23,25H2
InChIKeyJXMKEKZLXFAEFZ-UHFFFAOYSA-N
XLogP9.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.66
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,2-diphenyl-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline
CID 166508564
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170218290
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170217106
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-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508547
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508635
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170113458
N-(4-phenylnaphthalen-1-yl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 168722773
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-[2-(4-tert-butylphenyl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170218009
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508775
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

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?
The IUPAC name of N-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine (CID 166508502) is N-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine.
What is the SMILES notation for N-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?
The canonical SMILES for N-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine is c1ccc(-c2ccccc2N(c2ccccc2)c2ccc3c(c2)C2(CC4CCC2C4)c2ccccc2-3)cc1.
What is the InChIKey of N-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?
The InChIKey is JXMKEKZLXFAEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N/c1-3-11-27(12-4-1)31-15-8-10-18-36(31)38(29-13-5-2-6-14-29)30-21-22-33-32-16-7-9-17-34(32)37(35(33)24-30)25-26-19-20-28(37)23-26/h1-18,21-22,24,26,28H,19-20,23,25H2.
What are the key properties of N-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?
N-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine has a molecular weight of 489.66 g/mol, XLogP of 9.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 166508502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).