N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine

C40H35N — CID 166508635

IUPACN-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43CC4CCC3C4)cc21
InChIInChI=1S/C40H35N/c1-39(2)33-15-8-6-13-30(33)31-22-21-29(24-36(31)39)41(28-11-4-3-5-12-28)37-18-10-17-35-38(37)32-14-7-9-16-34(32)40(35)25-26-19-20-27(40)23-26/h3-18,21-22,24,26-27H,19-20,23,25H2,1-2H3
InChIKeyGWCTTWFDLFUHKK-UHFFFAOYSA-N
MW529.73 g/mol
LogP10.55
Rot. Bonds3

About N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine

N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine (PubChem CID 166508635) has the molecular formula C40H35N and a molecular weight of 529.73 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
PubChem CID166508635
Molecular FormulaC40H35N
Molecular Weight529.73 g/mol
Exact Mass529.28
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43CC4CCC3C4)cc21
InChIInChI=1S/C40H35N/c1-39(2)33-15-8-6-13-30(33)31-22-21-29(24-36(31)39)41(28-11-4-3-5-12-28)37-18-10-17-35-38(37)32-14-7-9-16-34(32)40(35)25-26-19-20-27(40)23-26/h3-18,21-22,24,26-27H,19-20,23,25H2,1-2H3
InChIKeyGWCTTWFDLFUHKK-UHFFFAOYSA-N
XLogP10.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.73
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-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-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508775
9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylfluoren-2-amine
CID 166508588
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170215903
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
N-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508502
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
3',6'-ditert-butyl-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-4-amine
CID 170215931
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-1-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-amine
CID 170143655
N-[9,9-bis(4-tert-butylphenyl)fluoren-4-yl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170216586
N-(9,9-dimethylfluoren-1-yl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-ylspiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722400
N-(3,4-diphenylphenyl)-N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylspiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-amine
CID 168723067

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine (CID 166508635) is N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3-c3ccccc3C43CC4CCC3C4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine?
The InChIKey is GWCTTWFDLFUHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35N/c1-39(2)33-15-8-6-13-30(33)31-22-21-29(24-36(31)39)41(28-11-4-3-5-12-28)37-18-10-17-35-38(37)32-14-7-9-16-34(32)40(35)25-26-19-20-27(40)23-26/h3-18,21-22,24,26-27H,19-20,23,25H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine?
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine has a molecular weight of 529.73 g/mol, XLogP of 10.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine is sourced from PubChem (CID 166508635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).