14-(9,9-dimethylfluoren-2-yl)-21-(3,5-diphenylphenyl)-10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene

C55H42Si — CID 173480984

IUPAC14-(9,9-dimethylfluoren-2-yl)-21-(3,5-diphenylphenyl)-10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cc5c(cc34)[Si](C)(C)c3ccccc3-5)cc21
InChIInChI=1S/C55H42Si/c1-55(2)49-25-15-13-21-41(49)42-28-27-37(32-50(42)55)53-44-23-11-12-24-45(44)54(47-33-46-43-22-14-16-26-51(43)56(3,4)52(46)34-48(47)53)40-30-38(35-17-7-5-8-18-35)29-39(31-40)36-19-9-6-10-20-36/h5-34H,1-4H3
InChIKeyCLLAOQITSXBNOK-UHFFFAOYSA-N
MW731.03 g/mol
LogP13.77
Rot. Bonds4

About 14-(9,9-dimethylfluoren-2-yl)-21-(3,5-diphenylphenyl)-10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene

14-(9,9-dimethylfluoren-2-yl)-21-(3,5-diphenylphenyl)-10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene (PubChem CID 173480984) has the molecular formula C55H42Si and a molecular weight of 731.03 g/mol. Its IUPAC name is 14-(9,9-dimethylfluoren-2-yl)-21-(3,5-diphenylphenyl)-10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene.

Molecular Properties

Compound Name14-(9,9-dimethylfluoren-2-yl)-21-(3,5-diphenylphenyl)-10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
PubChem CID173480984
Molecular FormulaC55H42Si
Molecular Weight731.03 g/mol
Exact Mass730.31
IUPAC Name14-(9,9-dimethylfluoren-2-yl)-21-(3,5-diphenylphenyl)-10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cc5c(cc34)[Si](C)(C)c3ccccc3-5)cc21
InChIInChI=1S/C55H42Si/c1-55(2)49-25-15-13-21-41(49)42-28-27-37(32-50(42)55)53-44-23-11-12-24-45(44)54(47-33-46-43-22-14-16-26-51(43)56(3,4)52(46)34-48(47)53)40-30-38(35-17-7-5-8-18-35)29-39(31-40)36-19-9-6-10-20-36/h5-34H,1-4H3
InChIKeyCLLAOQITSXBNOK-UHFFFAOYSA-N
XLogP13.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.03
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 14-(9,9-dimethylfluoren-2-yl)-21-(3,5-diphenylphenyl)-10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene with MolForge

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Related Compounds

21-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-7,14,17-triphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene
CID 173481002
14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-(4-naphthalen-2-ylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175541
14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-1-yl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175282
14,21-di(fluoranthen-3-yl)-10,10-dimethyl-7-(2-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;14,21-di(fluoranthen-3-yl)-10,10-dimethyl-7-(3-phenylphenyl)-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene;7-(9,9-dimethylfluoren-2-yl)-14,21-di(fluoranthen-3-yl)-10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 158278713
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
14-(9,9-dimethylfluoren-2-yl)-6,10,10-trimethyl-21-naphthalen-1-yl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,11,13,15,17,19-decaene
CID 91068010
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
8,13-bis(9,9-dimethylfluoren-2-yl)-5,5-dimethylanthra[2,1-b][1]benzosilole
CID 173480612
9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039
9-(9,9-dimethylfluoren-2-yl)-10-[4-[2-(4-phenylphenyl)ethenyl]phenyl]anthracene
CID 123439671
9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene
CID 20822196

Frequently Asked Questions

What is the IUPAC name of 14-(9,9-dimethylfluoren-2-yl)-21-(3,5-diphenylphenyl)-10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?
The IUPAC name of 14-(9,9-dimethylfluoren-2-yl)-21-(3,5-diphenylphenyl)-10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene (CID 173480984) is 14-(9,9-dimethylfluoren-2-yl)-21-(3,5-diphenylphenyl)-10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene.
What is the SMILES notation for 14-(9,9-dimethylfluoren-2-yl)-21-(3,5-diphenylphenyl)-10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?
The canonical SMILES for 14-(9,9-dimethylfluoren-2-yl)-21-(3,5-diphenylphenyl)-10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4cc5c(cc34)[Si](C)(C)c3ccccc3-5)cc21.
What is the InChIKey of 14-(9,9-dimethylfluoren-2-yl)-21-(3,5-diphenylphenyl)-10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?
The InChIKey is CLLAOQITSXBNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42Si/c1-55(2)49-25-15-13-21-41(49)42-28-27-37(32-50(42)55)53-44-23-11-12-24-45(44)54(47-33-46-43-22-14-16-26-51(43)56(3,4)52(46)34-48(47)53)40-30-38(35-17-7-5-8-18-35)29-39(31-40)36-19-9-6-10-20-36/h5-34H,1-4H3.
What are the key properties of 14-(9,9-dimethylfluoren-2-yl)-21-(3,5-diphenylphenyl)-10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene?
14-(9,9-dimethylfluoren-2-yl)-21-(3,5-diphenylphenyl)-10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene has a molecular weight of 731.03 g/mol, XLogP of 13.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(9,9-dimethylfluoren-2-yl)-21-(3,5-diphenylphenyl)-10,10-dimethyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene is sourced from PubChem (CID 173480984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).