8,13-bis(9,9-dimethylfluoren-2-yl)-5,5-dimethylanthra[2,1-b][1]benzosilole

C52H42Si — CID 173480612

IUPAC8,13-bis(9,9-dimethylfluoren-2-yl)-5,5-dimethylanthra[2,1-b][1]benzosilole
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4c5c(ccc34)[Si](C)(C)c3ccccc3-5)cc21
InChIInChI=1S/C52H42Si/c1-51(2)41-20-12-9-15-33(41)35-25-23-31(29-43(35)51)47-37-17-7-8-18-38(37)48(32-24-26-36-34-16-10-13-21-42(34)52(3,4)44(36)30-32)50-40(47)27-28-46-49(50)39-19-11-14-22-45(39)53(46,5)6/h7-30H,1-6H3
InChIKeyLVFLEOQDQBLYGM-UHFFFAOYSA-N
MW694.99 g/mol
LogP12.74
Rot. Bonds2

About 8,13-bis(9,9-dimethylfluoren-2-yl)-5,5-dimethylanthra[2,1-b][1]benzosilole

8,13-bis(9,9-dimethylfluoren-2-yl)-5,5-dimethylanthra[2,1-b][1]benzosilole (PubChem CID 173480612) has the molecular formula C52H42Si and a molecular weight of 694.99 g/mol. Its IUPAC name is 8,13-bis(9,9-dimethylfluoren-2-yl)-5,5-dimethylanthra[2,1-b][1]benzosilole.

Molecular Properties

Compound Name8,13-bis(9,9-dimethylfluoren-2-yl)-5,5-dimethylanthra[2,1-b][1]benzosilole
PubChem CID173480612
Molecular FormulaC52H42Si
Molecular Weight694.99 g/mol
Exact Mass694.31
IUPAC Name8,13-bis(9,9-dimethylfluoren-2-yl)-5,5-dimethylanthra[2,1-b][1]benzosilole
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4c5c(ccc34)[Si](C)(C)c3ccccc3-5)cc21
InChIInChI=1S/C52H42Si/c1-51(2)41-20-12-9-15-33(41)35-25-23-31(29-43(35)51)47-37-17-7-8-18-38(37)48(32-24-26-36-34-16-10-13-21-42(34)52(3,4)44(36)30-32)50-40(47)27-28-46-49(50)39-19-11-14-22-45(39)53(46,5)6/h7-30H,1-6H3
InChIKeyLVFLEOQDQBLYGM-UHFFFAOYSA-N
XLogP12.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.99
LogP ≤ 512.74
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 8,13-bis(9,9-dimethylfluoren-2-yl)-5,5-dimethylanthra[2,1-b][1]benzosilole 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

9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-4-phenylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-1-phenylanthracene
CID 20822392
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-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
7-(9,9-dimethylfluoren-2-yl)-12-phenanthren-2-ylbenzo[a]anthracene
CID 58535895
3-[10-(9,9-dimethylfluoren-2-yl)-3-methylanthracen-9-yl]-5,10,10-trimethylbenzo[b][1,4]benzazasiline
CID 59194861
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
2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-5,5-dimethylbenzo[b][1]benzosilole
CID 59195552
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
9,10-bis(9,9-dimethylfluoren-2-yl)-2-ethylanthracene
CID 58019447
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
6-[9,10-bis(9,9-dimethylfluoren-2-yl)anthracen-2-yl]benzene-1,2,3,4,5-pentol
CID 149227774
9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-2,3-diethylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-2,3-diethylanthracene
CID 20822097

Frequently Asked Questions

What is the IUPAC name of 8,13-bis(9,9-dimethylfluoren-2-yl)-5,5-dimethylanthra[2,1-b][1]benzosilole?
The IUPAC name of 8,13-bis(9,9-dimethylfluoren-2-yl)-5,5-dimethylanthra[2,1-b][1]benzosilole (CID 173480612) is 8,13-bis(9,9-dimethylfluoren-2-yl)-5,5-dimethylanthra[2,1-b][1]benzosilole.
What is the SMILES notation for 8,13-bis(9,9-dimethylfluoren-2-yl)-5,5-dimethylanthra[2,1-b][1]benzosilole?
The canonical SMILES for 8,13-bis(9,9-dimethylfluoren-2-yl)-5,5-dimethylanthra[2,1-b][1]benzosilole is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4c5c(ccc34)[Si](C)(C)c3ccccc3-5)cc21.
What is the InChIKey of 8,13-bis(9,9-dimethylfluoren-2-yl)-5,5-dimethylanthra[2,1-b][1]benzosilole?
The InChIKey is LVFLEOQDQBLYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42Si/c1-51(2)41-20-12-9-15-33(41)35-25-23-31(29-43(35)51)47-37-17-7-8-18-38(37)48(32-24-26-36-34-16-10-13-21-42(34)52(3,4)44(36)30-32)50-40(47)27-28-46-49(50)39-19-11-14-22-45(39)53(46,5)6/h7-30H,1-6H3.
What are the key properties of 8,13-bis(9,9-dimethylfluoren-2-yl)-5,5-dimethylanthra[2,1-b][1]benzosilole?
8,13-bis(9,9-dimethylfluoren-2-yl)-5,5-dimethylanthra[2,1-b][1]benzosilole has a molecular weight of 694.99 g/mol, XLogP of 12.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,13-bis(9,9-dimethylfluoren-2-yl)-5,5-dimethylanthra[2,1-b][1]benzosilole is sourced from PubChem (CID 173480612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).