(2-methyl-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)-diphenylsilane

C51H56Si — CID 102398548

IUPAC(2-methyl-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)-diphenylsilane
SMILESCC1=Cc2ccccc2C1[Si](c1ccccc1)(c1ccccc1)C1c2cc3c(cc2-c2cc4c(cc21)C(C)(C)CCC4(C)C)C(C)(C)CCC3(C)C
InChIInChI=1S/C51H56Si/c1-33-28-34-18-16-17-23-37(34)46(33)52(35-19-12-10-13-20-35,36-21-14-11-15-22-36)47-40-31-44-42(48(2,3)24-26-50(44,6)7)29-38(40)39-30-43-45(32-41(39)47)51(8,9)27-25-49(43,4)5/h10-23,28-32,46-47H,24-27H2,1-9H3
InChIKeyWILOGCBFEIGIQX-UHFFFAOYSA-N
MW697.10 g/mol
LogP12.04
Rot. Bonds4

About (2-methyl-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)-diphenylsilane

(2-methyl-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)-diphenylsilane (PubChem CID 102398548) has the molecular formula C51H56Si and a molecular weight of 697.10 g/mol. Its IUPAC name is (2-methyl-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)-diphenylsilane.

Molecular Properties

Compound Name(2-methyl-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)-diphenylsilane
PubChem CID102398548
Molecular FormulaC51H56Si
Molecular Weight697.10 g/mol
Exact Mass696.42
IUPAC Name(2-methyl-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)-diphenylsilane
SMILESCC1=Cc2ccccc2C1[Si](c1ccccc1)(c1ccccc1)C1c2cc3c(cc2-c2cc4c(cc21)C(C)(C)CCC4(C)C)C(C)(C)CCC3(C)C
InChIInChI=1S/C51H56Si/c1-33-28-34-18-16-17-23-37(34)46(33)52(35-19-12-10-13-20-35,36-21-14-11-15-22-36)47-40-31-44-42(48(2,3)24-26-50(44,6)7)29-38(40)39-30-43-45(32-41(39)47)51(8,9)27-25-49(43,4)5/h10-23,28-32,46-47H,24-27H2,1-9H3
InChIKeyWILOGCBFEIGIQX-UHFFFAOYSA-N
XLogP12.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.10
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2-methyl-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)-diphenylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)-diphenylsilane?
The IUPAC name of (2-methyl-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)-diphenylsilane (CID 102398548) is (2-methyl-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)-diphenylsilane.
What is the SMILES notation for (2-methyl-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)-diphenylsilane?
The canonical SMILES for (2-methyl-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)-diphenylsilane is CC1=Cc2ccccc2C1[Si](c1ccccc1)(c1ccccc1)C1c2cc3c(cc2-c2cc4c(cc21)C(C)(C)CCC4(C)C)C(C)(C)CCC3(C)C.
What is the InChIKey of (2-methyl-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)-diphenylsilane?
The InChIKey is WILOGCBFEIGIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H56Si/c1-33-28-34-18-16-17-23-37(34)46(33)52(35-19-12-10-13-20-35,36-21-14-11-15-22-36)47-40-31-44-42(48(2,3)24-26-50(44,6)7)29-38(40)39-30-43-45(32-41(39)47)51(8,9)27-25-49(43,4)5/h10-23,28-32,46-47H,24-27H2,1-9H3.
What are the key properties of (2-methyl-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)-diphenylsilane?
(2-methyl-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)-diphenylsilane has a molecular weight of 697.10 g/mol, XLogP of 12.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1H-inden-1-yl)-(5,5,8,8,16,16,19,19-octamethyl-12-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaenyl)-diphenylsilane is sourced from PubChem (CID 102398548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).