N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine

C25H23N — CID 167288875

IUPACN-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine
SMILESc1ccc(Nc2ccc3c(c2)-c2ccccc2C32CC3CCC2C3)cc1
InChIInChI=1S/C25H23N/c1-2-6-19(7-3-1)26-20-12-13-24-22(15-20)21-8-4-5-9-23(21)25(24)16-17-10-11-18(25)14-17/h1-9,12-13,15,17-18,26H,10-11,14,16H2
InChIKeyQYLFVKNGNGJKAT-UHFFFAOYSA-N
MW337.47 g/mol
LogP6.52
Rot. Bonds2

About N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine

N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine (PubChem CID 167288875) has the molecular formula C25H23N and a molecular weight of 337.47 g/mol. Its IUPAC name is N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine.

Molecular Properties

Compound NameN-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine
PubChem CID167288875
Molecular FormulaC25H23N
Molecular Weight337.47 g/mol
Exact Mass337.18
IUPAC NameN-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine
SMILESc1ccc(Nc2ccc3c(c2)-c2ccccc2C32CC3CCC2C3)cc1
InChIInChI=1S/C25H23N/c1-2-6-19(7-3-1)26-20-12-13-24-22(15-20)21-8-4-5-9-23(21)25(24)16-17-10-11-18(25)14-17/h1-9,12-13,15,17-18,26H,10-11,14,16H2
InChIKeyQYLFVKNGNGJKAT-UHFFFAOYSA-N
XLogP6.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2R,4S)-N-(3-methylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 171720729
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-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508502
N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-amine
CID 130271446
N,9,9-triphenyl-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]fluoren-3-amine
CID 168744572
N-[2-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-amine
CID 155407255
N-(4-phenylphenyl)-N-[(2R)-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-yl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722805
N,2-diphenyl-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline
CID 166508564
8-phenyl-14-[(1S,2R,4R)-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-yl]-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 171720570
N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508547
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
15,21-diphenylspiro[15,21-diaza-1-boraheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2,4(12),5,7,9,13,16,18,20(28),22,24,26-dodecaene-11,2'-bicyclo[2.2.1]heptane]
CID 171720517

Frequently Asked Questions

What is the IUPAC name of N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine?
The IUPAC name of N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine (CID 167288875) is N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine.
What is the SMILES notation for N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine?
The canonical SMILES for N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine is c1ccc(Nc2ccc3c(c2)-c2ccccc2C32CC3CCC2C3)cc1.
What is the InChIKey of N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine?
The InChIKey is QYLFVKNGNGJKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N/c1-2-6-19(7-3-1)26-20-12-13-24-22(15-20)21-8-4-5-9-23(21)25(24)16-17-10-11-18(25)14-17/h1-9,12-13,15,17-18,26H,10-11,14,16H2.
What are the key properties of N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine?
N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine has a molecular weight of 337.47 g/mol, XLogP of 6.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine is sourced from PubChem (CID 167288875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).