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

C48H38Si — CID 91068010

IUPAC14-(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
SMILESCc1ccc2c(c1)-c1cc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3cc1[Si]2(C)C
InChIInChI=1S/C48H38Si/c1-29-21-24-44-38(25-29)39-27-40-41(28-45(39)49(44,4)5)46(31-22-23-34-33-16-10-11-20-42(33)48(2,3)43(34)26-31)36-17-8-9-18-37(36)47(40)35-19-12-14-30-13-6-7-15-32(30)35/h6-28H,1-5H3
InChIKeyXSCDOJCBRGVFOF-UHFFFAOYSA-N
MW642.92 g/mol
LogP11.90
Rot. Bonds2

About 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

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 (PubChem CID 91068010) has the molecular formula C48H38Si and a molecular weight of 642.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name14-(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
PubChem CID91068010
Molecular FormulaC48H38Si
Molecular Weight642.92 g/mol
Exact Mass642.27
IUPAC Name14-(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
SMILESCc1ccc2c(c1)-c1cc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3cc1[Si]2(C)C
InChIInChI=1S/C48H38Si/c1-29-21-24-44-38(25-29)39-27-40-41(28-45(39)49(44,4)5)46(31-22-23-34-33-16-10-11-20-42(33)48(2,3)43(34)26-31)36-17-8-9-18-37(36)47(40)35-19-12-14-30-13-6-7-15-32(30)35/h6-28H,1-5H3
InChIKeyXSCDOJCBRGVFOF-UHFFFAOYSA-N
XLogP11.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.92
LogP ≤ 511.90
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)-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 with MolForge

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Related Compounds

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-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-(10-naphthalen-1-ylanthracen-9-yl)anthracene
CID 20822239
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
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-diphenylanthracene
CID 159887994
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
6-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]chrysene
CID 59194713
14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-1-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175465
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
10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(2,3,4,5,6-pentachlorophenyl)anthracene
CID 135210142
9-(9,9-dimethylfluoren-2-yl)-10-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-3-methylanthracen-9-yl]-2-methylanthracene
CID 58782810
3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline
CID 59194861
9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-(9,9-dimethylfluoren-2-yl)-10-phenylanthracene;9,10-dinaphthalen-1-ylanthracene;9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 165023412

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc2c(c1)-c1cc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c3cc1[Si]2(C)C.
What is the InChIKey of 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?
The InChIKey is XSCDOJCBRGVFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38Si/c1-29-21-24-44-38(25-29)39-27-40-41(28-45(39)49(44,4)5)46(31-22-23-34-33-16-10-11-20-42(33)48(2,3)43(34)26-31)36-17-8-9-18-37(36)47(40)35-19-12-14-30-13-6-7-15-32(30)35/h6-28H,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 642.92 g/mol, XLogP of 11.90, 2 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)-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 is sourced from PubChem (CID 91068010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).