2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-5,5-dimethylbenzo[b][1]benzosilole

C53H40Si — CID 59195552

IUPAC2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-5,5-dimethylbenzo[b][1]benzosilole
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4[Si]5(C)C)c4ccc(-c5ccc6ccccc6c5)cc34)ccc21
InChIInChI=1S/C53H40Si/c1-53(2)47-19-11-9-15-39(47)44-31-37(24-27-48(44)53)52-42-18-8-7-17-41(42)51(38-25-28-50-45(32-38)40-16-10-12-20-49(40)54(50,3)4)43-26-23-36(30-46(43)52)35-22-21-33-13-5-6-14-34(33)29-35/h5-32H,1-4H3
InChIKeySNNWEURVRRKVAF-UHFFFAOYSA-N
MW704.99 g/mol
LogP13.26
Rot. Bonds3

About 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-5,5-dimethylbenzo[b][1]benzosilole

2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-5,5-dimethylbenzo[b][1]benzosilole (PubChem CID 59195552) has the molecular formula C53H40Si and a molecular weight of 704.99 g/mol. Its IUPAC name is 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-5,5-dimethylbenzo[b][1]benzosilole.

Molecular Properties

Compound Name2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-5,5-dimethylbenzo[b][1]benzosilole
PubChem CID59195552
Molecular FormulaC53H40Si
Molecular Weight704.99 g/mol
Exact Mass704.29
IUPAC Name2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-5,5-dimethylbenzo[b][1]benzosilole
SMILESCC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4[Si]5(C)C)c4ccc(-c5ccc6ccccc6c5)cc34)ccc21
InChIInChI=1S/C53H40Si/c1-53(2)47-19-11-9-15-39(47)44-31-37(24-27-48(44)53)52-42-18-8-7-17-41(42)51(38-25-28-50-45(32-38)40-16-10-12-20-49(40)54(50,3)4)43-26-23-36(30-46(43)52)35-22-21-33-13-5-6-14-34(33)29-35/h5-32H,1-4H3
InChIKeySNNWEURVRRKVAF-UHFFFAOYSA-N
XLogP13.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.99
LogP ≤ 513.26
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'}

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Related Compounds

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
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 59196621
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 59196012
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-2-yl-10-[(E)-2-phenylethenyl]anthracene
CID 59195272
14,21-bis(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-17-naphthalen-2-ylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 58175295
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
2-(9,9-dimethylfluoren-2-yl)-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 143930053
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-9-phenylanthracene
CID 58323304
10,10-dimethyl-14,21-dinaphthalen-2-yl-18-phenylpentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 123220350
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 59195124
2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(3-naphthalen-2-ylphenyl)anthracene;2-(9,9-dimethylfluoren-2-yl)-9-(9,9-dimethylfluoren-3-yl)-10-(4-naphthalen-1-ylphenyl)anthracene
CID 161493004
8-(9,9-dimethylfluoren-2-yl)-13-(9,9-dimethylfluoren-3-yl)-5-naphthalen-2-yl-6,11-diphenylbenzo[a]tetracene
CID 123220371

Frequently Asked Questions

What is the IUPAC name of 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-5,5-dimethylbenzo[b][1]benzosilole?
The IUPAC name of 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-5,5-dimethylbenzo[b][1]benzosilole (CID 59195552) is 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-5,5-dimethylbenzo[b][1]benzosilole.
What is the SMILES notation for 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-5,5-dimethylbenzo[b][1]benzosilole?
The canonical SMILES for 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-5,5-dimethylbenzo[b][1]benzosilole is CC1(C)c2ccccc2-c2cc(-c3c4ccccc4c(-c4ccc5c(c4)-c4ccccc4[Si]5(C)C)c4ccc(-c5ccc6ccccc6c5)cc34)ccc21.
What is the InChIKey of 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-5,5-dimethylbenzo[b][1]benzosilole?
The InChIKey is SNNWEURVRRKVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H40Si/c1-53(2)47-19-11-9-15-39(47)44-31-37(24-27-48(44)53)52-42-18-8-7-17-41(42)51(38-25-28-50-45(32-38)40-16-10-12-20-49(40)54(50,3)4)43-26-23-36(30-46(43)52)35-22-21-33-13-5-6-14-34(33)29-35/h5-32H,1-4H3.
What are the key properties of 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-5,5-dimethylbenzo[b][1]benzosilole?
2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-5,5-dimethylbenzo[b][1]benzosilole has a molecular weight of 704.99 g/mol, XLogP of 13.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-2-ylanthracen-9-yl]-5,5-dimethylbenzo[b][1]benzosilole is sourced from PubChem (CID 59195552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).