N-naphthalen-1-yl-N-(1,1,3,3-tetramethyl-9,9-diphenyl-2H-cyclopenta[b]fluoren-7-yl)dibenzothiophen-3-amine

C54H43NS — CID 167268419

IUPACN-naphthalen-1-yl-N-(1,1,3,3-tetramethyl-9,9-diphenyl-2H-cyclopenta[b]fluoren-7-yl)dibenzothiophen-3-amine
SMILESCC1(C)CC(C)(C)c2cc3c(cc21)-c1ccc(N(c2ccc4c(c2)sc2ccccc24)c2cccc4ccccc24)cc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C54H43NS/c1-52(2)34-53(3,4)48-33-46-44(32-47(48)52)41-28-26-38(30-45(41)54(46,36-18-7-5-8-19-36)37-20-9-6-10-21-37)55(49-24-15-17-35-16-11-12-22-40(35)49)39-27-29-43-42-23-13-14-25-50(42)56-51(43)31-39/h5-33H,34H2,1-4H3
InChIKeyGARSNVYCUOBNNA-UHFFFAOYSA-N
MW738.01 g/mol
LogP15.00
Rot. Bonds5

About N-naphthalen-1-yl-N-(1,1,3,3-tetramethyl-9,9-diphenyl-2H-cyclopenta[b]fluoren-7-yl)dibenzothiophen-3-amine

N-naphthalen-1-yl-N-(1,1,3,3-tetramethyl-9,9-diphenyl-2H-cyclopenta[b]fluoren-7-yl)dibenzothiophen-3-amine (PubChem CID 167268419) has the molecular formula C54H43NS and a molecular weight of 738.01 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(1,1,3,3-tetramethyl-9,9-diphenyl-2H-cyclopenta[b]fluoren-7-yl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(1,1,3,3-tetramethyl-9,9-diphenyl-2H-cyclopenta[b]fluoren-7-yl)dibenzothiophen-3-amine
PubChem CID167268419
Molecular FormulaC54H43NS
Molecular Weight738.01 g/mol
Exact Mass737.31
IUPAC NameN-naphthalen-1-yl-N-(1,1,3,3-tetramethyl-9,9-diphenyl-2H-cyclopenta[b]fluoren-7-yl)dibenzothiophen-3-amine
SMILESCC1(C)CC(C)(C)c2cc3c(cc21)-c1ccc(N(c2ccc4c(c2)sc2ccccc24)c2cccc4ccccc24)cc1C3(c1ccccc1)c1ccccc1
InChIInChI=1S/C54H43NS/c1-52(2)34-53(3,4)48-33-46-44(32-47(48)52)41-28-26-38(30-45(41)54(46,36-18-7-5-8-19-36)37-20-9-6-10-21-37)55(49-24-15-17-35-16-11-12-22-40(35)49)39-27-29-43-42-23-13-14-25-50(42)56-51(43)31-39/h5-33H,34H2,1-4H3
InChIKeyGARSNVYCUOBNNA-UHFFFAOYSA-N
XLogP15.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.01
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-naphthalen-1-yl-N-(1,1,3,3-tetramethyl-9,9-diphenyl-2H-cyclopenta[b]fluoren-7-yl)dibenzothiophen-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-(1,1,3,3,9,9-hexamethyl-2H-cyclopenta[b]fluoren-7-yl)-N-[2-(4-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 169030144
2-N-dibenzofuran-3-yl-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenylfluorene-2,7-diamine;2-N-dibenzothiophen-3-yl-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;7-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 159611762
N-[2-(9-phenylfluoren-9-yl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-3-amine
CID 165158322
7-N-dibenzofuran-3-yl-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;7-N-dibenzothiophen-3-yl-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-diphenyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157280557
N-(3-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine
CID 118405991
N-dibenzothiophen-3-yl-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-xanthene]-9-amine
CID 164794694
N-naphthalen-1-yl-N-[4-[3-(15-phenyl-15-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 129230952
N-naphthalen-1-yl-N-(5'-phenylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzothiophen-3-amine
CID 168811954
N-(7-dibenzothiophen-2-yl-9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-yl-7-phenylfluoren-2-amine
CID 67964547
N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]phenyl]-N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 157435553
N-(4-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-2-amine
CID 168846173
N-(11,11-dimethylbenzo[b]fluoren-9-yl)-N-phenyldibenzothiophen-3-amine
CID 156554191

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(1,1,3,3-tetramethyl-9,9-diphenyl-2H-cyclopenta[b]fluoren-7-yl)dibenzothiophen-3-amine?
The IUPAC name of N-naphthalen-1-yl-N-(1,1,3,3-tetramethyl-9,9-diphenyl-2H-cyclopenta[b]fluoren-7-yl)dibenzothiophen-3-amine (CID 167268419) is N-naphthalen-1-yl-N-(1,1,3,3-tetramethyl-9,9-diphenyl-2H-cyclopenta[b]fluoren-7-yl)dibenzothiophen-3-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(1,1,3,3-tetramethyl-9,9-diphenyl-2H-cyclopenta[b]fluoren-7-yl)dibenzothiophen-3-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(1,1,3,3-tetramethyl-9,9-diphenyl-2H-cyclopenta[b]fluoren-7-yl)dibenzothiophen-3-amine is CC1(C)CC(C)(C)c2cc3c(cc21)-c1ccc(N(c2ccc4c(c2)sc2ccccc24)c2cccc4ccccc24)cc1C3(c1ccccc1)c1ccccc1.
What is the InChIKey of N-naphthalen-1-yl-N-(1,1,3,3-tetramethyl-9,9-diphenyl-2H-cyclopenta[b]fluoren-7-yl)dibenzothiophen-3-amine?
The InChIKey is GARSNVYCUOBNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H43NS/c1-52(2)34-53(3,4)48-33-46-44(32-47(48)52)41-28-26-38(30-45(41)54(46,36-18-7-5-8-19-36)37-20-9-6-10-21-37)55(49-24-15-17-35-16-11-12-22-40(35)49)39-27-29-43-42-23-13-14-25-50(42)56-51(43)31-39/h5-33H,34H2,1-4H3.
What are the key properties of N-naphthalen-1-yl-N-(1,1,3,3-tetramethyl-9,9-diphenyl-2H-cyclopenta[b]fluoren-7-yl)dibenzothiophen-3-amine?
N-naphthalen-1-yl-N-(1,1,3,3-tetramethyl-9,9-diphenyl-2H-cyclopenta[b]fluoren-7-yl)dibenzothiophen-3-amine has a molecular weight of 738.01 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-(1,1,3,3-tetramethyl-9,9-diphenyl-2H-cyclopenta[b]fluoren-7-yl)dibenzothiophen-3-amine is sourced from PubChem (CID 167268419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).