N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine

C41H33N — CID 166508547

IUPACN-(4-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(c2)C2(CC4CCC2C4)c2ccccc2-3)cc1
InChIInChI=1S/C41H33N/c1-2-11-32(12-3-1)42(33-21-18-30(19-22-33)36-15-8-10-29-9-4-5-13-35(29)36)34-23-24-38-37-14-6-7-16-39(37)41(40(38)26-34)27-28-17-20-31(41)25-28/h1-16,18-19,21-24,26,28,31H,17,20,25,27H2
InChIKeyMALYNFLDRSEXSS-UHFFFAOYSA-N
MW539.72 g/mol
LogP11.06
Rot. Bonds4

About N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine

N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine (PubChem CID 166508547) has the molecular formula C41H33N and a molecular weight of 539.72 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
PubChem CID166508547
Molecular FormulaC41H33N
Molecular Weight539.72 g/mol
Exact Mass539.26
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(c2)C2(CC4CCC2C4)c2ccccc2-3)cc1
InChIInChI=1S/C41H33N/c1-2-11-32(12-3-1)42(33-21-18-30(19-22-33)36-15-8-10-29-9-4-5-13-35(29)36)34-23-24-38-37-14-6-7-16-39(37)41(40(38)26-34)27-28-17-20-31(41)25-28/h1-16,18-19,21-24,26,28,31H,17,20,25,27H2
InChIKeyMALYNFLDRSEXSS-UHFFFAOYSA-N
XLogP11.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.72
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[4-(4-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)phenanthren-2-amine
CID 166508480
N-naphthalen-2-yl-N-phenanthren-2-ylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508521
N-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508502
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-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphthalen-1-ylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170217152
N-phenyl-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-2-amine
CID 166508773
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508657
N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)spiro[fluorene-9,2'-tricyclo[5.3.1.04,9]undecane]-3-amine
CID 156567937
N,2-diphenyl-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline
CID 166508564
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-phenyl-N-(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yldibenzothiophen-3-amine
CID 166508563

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine (CID 166508547) is N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine is c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc3c(c2)C2(CC4CCC2C4)c2ccccc2-3)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?
The InChIKey is MALYNFLDRSEXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33N/c1-2-11-32(12-3-1)42(33-21-18-30(19-22-33)36-15-8-10-29-9-4-5-13-35(29)36)34-23-24-38-37-14-6-7-16-39(37)41(40(38)26-34)27-28-17-20-31(41)25-28/h1-16,18-19,21-24,26,28,31H,17,20,25,27H2.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine?
N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine has a molecular weight of 539.72 g/mol, XLogP of 11.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 166508547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).