N-(9,9-dimethylfluoren-1-yl)-N,9,9-triphenyl-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine

C51H37NSSi — CID 159735980

IUPACN-(9,9-dimethylfluoren-1-yl)-N,9,9-triphenyl-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccccc3)c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3ccc5c(sc6ccccc65)c3-4)c21
InChIInChI=1S/C51H37NSSi/c1-51(2)43-26-14-12-23-38(43)40-25-16-27-44(49(40)51)52(34-17-6-3-7-18-34)35-29-30-42-47(33-35)54(36-19-8-4-9-20-36,37-21-10-5-11-22-37)46-32-31-41-39-24-13-15-28-45(39)53-50(41)48(42)46/h3-33H,1-2H3
InChIKeyGYFMBZWSVGNCQH-UHFFFAOYSA-N
MW724.02 g/mol
LogP11.19
Rot. Bonds5

About N-(9,9-dimethylfluoren-1-yl)-N,9,9-triphenyl-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine

N-(9,9-dimethylfluoren-1-yl)-N,9,9-triphenyl-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine (PubChem CID 159735980) has the molecular formula C51H37NSSi and a molecular weight of 724.02 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-1-yl)-N,9,9-triphenyl-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-1-yl)-N,9,9-triphenyl-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine
PubChem CID159735980
Molecular FormulaC51H37NSSi
Molecular Weight724.02 g/mol
Exact Mass723.24
IUPAC NameN-(9,9-dimethylfluoren-1-yl)-N,9,9-triphenyl-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccccc3)c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3ccc5c(sc6ccccc65)c3-4)c21
InChIInChI=1S/C51H37NSSi/c1-51(2)43-26-14-12-23-38(43)40-25-16-27-44(49(40)51)52(34-17-6-3-7-18-34)35-29-30-42-47(33-35)54(36-19-8-4-9-20-36,37-21-10-5-11-22-37)46-32-31-41-39-24-13-15-28-45(39)53-50(41)48(42)46/h3-33H,1-2H3
InChIKeyGYFMBZWSVGNCQH-UHFFFAOYSA-N
XLogP11.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.02
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-(9,9-dimethylfluoren-1-yl)-N,9,9-triphenyl-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-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-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 118193740
N-(2-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293399
N-dibenzothiophen-1-yl-N-phenyl-16-thiahexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaen-6-amine;N-(16,16-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.015,23.017,22]pentacosa-1(14),2(11),3(8),4,6,9,12,15(23),17,19,21,24-dodecaenyl)-N-phenyldibenzothiophen-1-amine
CID 165034727
N-(3-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121323910
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenyldibenzothiophen-4-amine
CID 129085176
N-(9,9-dimethylfluoren-2-yl)-N-[2-(5,5-diphenylbenzo[b][1]benzosilol-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 153426633
N-[4-(2-dibenzothiophen-4-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 154961628
N-(9,9-dimethyl-1-phenylfluoren-3-yl)-N-phenyldibenzothiophen-4-amine
CID 167197274
1-N-dibenzothiophen-4-yl-3-N-(9,9-dimethylfluoren-4-yl)-1-N-phenyl-3-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,3-diamine
CID 155096793
2-N'-dibenzothiophen-4-yl-2-N'-(9,9-dimethylfluoren-2-yl)-2-N-(2,3,4,5,6-pentadeuteriophenyl)-2-N-phenyl-9,9'-spirobi[fluorene]-2,2'-diamine
CID 168791436
N-(3-dibenzothiophen-4-ylphenyl)-2-(9,9-dimethylfluoren-4-yl)-N-[4-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 170143058
N-(3-dibenzothiophen-1-ylphenyl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-1-amine
CID 139568348

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-1-yl)-N,9,9-triphenyl-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine?
The IUPAC name of N-(9,9-dimethylfluoren-1-yl)-N,9,9-triphenyl-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine (CID 159735980) is N-(9,9-dimethylfluoren-1-yl)-N,9,9-triphenyl-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-1-yl)-N,9,9-triphenyl-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-1-yl)-N,9,9-triphenyl-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine is CC1(C)c2ccccc2-c2cccc(N(c3ccccc3)c3ccc4c(c3)[Si](c3ccccc3)(c3ccccc3)c3ccc5c(sc6ccccc65)c3-4)c21.
What is the InChIKey of N-(9,9-dimethylfluoren-1-yl)-N,9,9-triphenyl-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine?
The InChIKey is GYFMBZWSVGNCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37NSSi/c1-51(2)43-26-14-12-23-38(43)40-25-16-27-44(49(40)51)52(34-17-6-3-7-18-34)35-29-30-42-47(33-35)54(36-19-8-4-9-20-36,37-21-10-5-11-22-37)46-32-31-41-39-24-13-15-28-45(39)53-50(41)48(42)46/h3-33H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-1-yl)-N,9,9-triphenyl-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine?
N-(9,9-dimethylfluoren-1-yl)-N,9,9-triphenyl-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine has a molecular weight of 724.02 g/mol, XLogP of 11.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-1-yl)-N,9,9-triphenyl-20-thia-9-silapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-6-amine is sourced from PubChem (CID 159735980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).