N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-yldibenzofuran-3-amine

C50H43NO — CID 167056502

IUPACN-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-yldibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3-c3ccccc3C43C4CCC5CC(C4)CC3C5)cc21
InChIInChI=1S/C50H43NO/c1-49(2)41-13-6-3-10-36(41)37-22-20-34(28-44(37)49)51(35-21-23-39-38-11-5-8-17-46(38)52-47(39)29-35)45-16-9-15-43-48(45)40-12-4-7-14-42(40)50(43)32-19-18-30-24-31(26-32)27-33(50)25-30/h3-17,20-23,28-33H,18-19,24-27H2,1-2H3
InChIKeyJRAHLYKONMEOHF-UHFFFAOYSA-N
MW673.90 g/mol
LogP13.47
Rot. Bonds3

About N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-yldibenzofuran-3-amine

N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-yldibenzofuran-3-amine (PubChem CID 167056502) has the molecular formula C50H43NO and a molecular weight of 673.90 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-yldibenzofuran-3-amine
PubChem CID167056502
Molecular FormulaC50H43NO
Molecular Weight673.90 g/mol
Exact Mass673.33
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-yldibenzofuran-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3-c3ccccc3C43C4CCC5CC(C4)CC3C5)cc21
InChIInChI=1S/C50H43NO/c1-49(2)41-13-6-3-10-36(41)37-22-20-34(28-44(37)49)51(35-21-23-39-38-11-5-8-17-46(38)52-47(39)29-35)45-16-9-15-43-48(45)40-12-4-7-14-42(40)50(43)32-19-18-30-24-31(26-32)27-33(50)25-30/h3-17,20-23,28-33H,18-19,24-27H2,1-2H3
InChIKeyJRAHLYKONMEOHF-UHFFFAOYSA-N
XLogP13.47
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.90
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-yldibenzofuran-3-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,N-di(spiro[adamantane-2,9'-fluorene]-2'-yl)dibenzofuran-3-amine
CID 168722758
N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-yldibenzofuran-1-amine
CID 168722735
N,N-bis(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylaniline;9,9-dimethyl-N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)fluoren-2-amine;N-(4-phenylphenyl)-N-(3-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine
CID 162212897
N-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-2-yldibenzofuran-3-amine
CID 168722506
N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)dibenzofuran-3-amine;N,4-diphenyl-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)aniline;N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)dibenzothiophen-3-amine
CID 159942017
6-N-(9,9-dimethylfluoren-2-yl)-1-N,6-N-diphenyl-1-N-spiro[adamantane-2,9'-fluorene]-4'-ylpyrene-1,6-diamine
CID 156533302
N,N-bis(4-phenylphenyl)spiro[adamantane-2,9'-xanthene]-2'-amine;N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[adamantane-2,9'-xanthene]-2'-amine;N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-xanthene]-2'-amine
CID 158937310
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170215998
N-(3-dibenzofuran-1-ylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170217258
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 170143589
CID 174099797
CID 174099797
N-(4-dibenzofuran-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-1'-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-1'-amine
CID 163954974

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-yldibenzofuran-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-yldibenzofuran-3-amine (CID 167056502) is N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-yldibenzofuran-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-yldibenzofuran-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-yldibenzofuran-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4c3-c3ccccc3C43C4CCC5CC(C4)CC3C5)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-yldibenzofuran-3-amine?
The InChIKey is JRAHLYKONMEOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H43NO/c1-49(2)41-13-6-3-10-36(41)37-22-20-34(28-44(37)49)51(35-21-23-39-38-11-5-8-17-46(38)52-47(39)29-35)45-16-9-15-43-48(45)40-12-4-7-14-42(40)50(43)32-19-18-30-24-31(26-32)27-33(50)25-30/h3-17,20-23,28-33H,18-19,24-27H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-yldibenzofuran-3-amine?
N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-yldibenzofuran-3-amine has a molecular weight of 673.90 g/mol, XLogP of 13.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-4-yldibenzofuran-3-amine is sourced from PubChem (CID 167056502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).