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

C55H42Si — CID 173481002

IUPAC21-(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
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccc(-c5ccccc5)cc4c(-c4ccccc4)c4cc5c(cc34)-c3ccc(-c4ccccc4)cc3[Si]5(C)C)cc21
InChIInChI=1S/C55H42Si/c1-55(2)49-23-15-14-22-41(49)42-27-26-40(31-50(42)55)54-44-29-25-38(35-16-8-5-9-17-35)30-46(44)53(37-20-12-7-13-21-37)48-34-52-45(33-47(48)54)43-28-24-39(32-51(43)56(52,3)4)36-18-10-6-11-19-36/h5-34H,1-4H3
InChIKeyXAEDMAQRMJGYHN-UHFFFAOYSA-N
MW731.03 g/mol
LogP13.77
Rot. Bonds4

About 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

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 (PubChem CID 173481002) has the molecular formula C55H42Si and a molecular weight of 731.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name21-(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
PubChem CID173481002
Molecular FormulaC55H42Si
Molecular Weight731.03 g/mol
Exact Mass730.31
IUPAC Name21-(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
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccc(-c5ccccc5)cc4c(-c4ccccc4)c4cc5c(cc34)-c3ccc(-c4ccccc4)cc3[Si]5(C)C)cc21
InChIInChI=1S/C55H42Si/c1-55(2)49-23-15-14-22-41(49)42-27-26-40(31-50(42)55)54-44-29-25-38(35-16-8-5-9-17-35)30-46(44)53(37-20-12-7-13-21-37)48-34-52-45(33-47(48)54)43-28-24-39(32-51(43)56(52,3)4)36-18-10-6-11-19-36/h5-34H,1-4H3
InChIKeyXAEDMAQRMJGYHN-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 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 with MolForge

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Related Compounds

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
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
9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
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
10-(9,9-dimethylfluoren-2-yl)-2,9-dinaphthalen-2-ylanthracene;2,10-diphenyl-9-(4-phenylphenyl)anthracene;2,9,10-tris(9,9-dimethylfluoren-2-yl)anthracene
CID 162071769
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,10-bis(4-phenylphenyl)anthracene;2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,10-bis(4-phenylphenyl)anthracene
CID 159520005
9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039
17-(9,9-dimethylfluoren-2-yl)-7,10,10-trimethyl-14,21-diphenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,12,14,16,18,20-nonaene
CID 91501056
10,10-dimethyl-21-naphthalen-1-yl-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 173480620
9-(9,9-dimethylfluoren-3-yl)-2,10-diphenylanthracene
CID 59195155
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(-c3c4ccc(-c5ccccc5)cc4c(-c4ccccc4)c4cc5c(cc34)-c3ccc(-c4ccccc4)cc3[Si]5(C)C)cc21.
What is the InChIKey of 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?
The InChIKey is XAEDMAQRMJGYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H42Si/c1-55(2)49-23-15-14-22-41(49)42-27-26-40(31-50(42)55)54-44-29-25-38(35-16-8-5-9-17-35)30-46(44)53(37-20-12-7-13-21-37)48-34-52-45(33-47(48)54)43-28-24-39(32-51(43)56(52,3)4)36-18-10-6-11-19-36/h5-34H,1-4H3.
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 173481002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).