[2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylnaphthalen-1-yl)anthracen-2-yl]phenyl]-dimethylsilanylium

C68H55Si+ — CID 144661915

IUPAC[2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylnaphthalen-1-yl)anthracen-2-yl]phenyl]-dimethylsilanylium
SMILESC[SiH2+](C)c1ccccc1-c1ccc2c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4ccc(-c5ccccc5)c5ccccc45)ccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1
InChIInChI=1S/C68H55Si/c1-67(2)60-25-15-12-23-52(60)54-32-30-45(40-62(54)67)65-57-35-29-44(49-20-14-17-27-64(49)69(5)6)39-59(57)66(46-31-33-55-53-24-13-16-26-61(53)68(3,4)63(55)41-46)56-34-28-43(38-58(56)65)48-37-36-47(42-18-8-7-9-19-42)50-21-10-11-22-51(48)50/h7-41H,69H2,1-6H3/q+1
InChIKeyVKIPZLAYWQCDKO-UHFFFAOYSA-N
MW900.27 g/mol
LogP17.52
Rot. Bonds6

About [2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylnaphthalen-1-yl)anthracen-2-yl]phenyl]-dimethylsilanylium

[2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylnaphthalen-1-yl)anthracen-2-yl]phenyl]-dimethylsilanylium (PubChem CID 144661915) has the molecular formula C68H55Si+ and a molecular weight of 900.27 g/mol. Its IUPAC name is [2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylnaphthalen-1-yl)anthracen-2-yl]phenyl]-dimethylsilanylium.

Molecular Properties

Compound Name[2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylnaphthalen-1-yl)anthracen-2-yl]phenyl]-dimethylsilanylium
PubChem CID144661915
Molecular FormulaC68H55Si+
Molecular Weight900.27 g/mol
Exact Mass899.41
IUPAC Name[2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylnaphthalen-1-yl)anthracen-2-yl]phenyl]-dimethylsilanylium
SMILESC[SiH2+](C)c1ccccc1-c1ccc2c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4ccc(-c5ccccc5)c5ccccc45)ccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1
InChIInChI=1S/C68H55Si/c1-67(2)60-25-15-12-23-52(60)54-32-30-45(40-62(54)67)65-57-35-29-44(49-20-14-17-27-64(49)69(5)6)39-59(57)66(46-31-33-55-53-24-13-16-26-61(53)68(3,4)63(55)41-46)56-34-28-43(38-58(56)65)48-37-36-47(42-18-8-7-9-19-42)50-21-10-11-22-51(48)50/h7-41H,69H2,1-6H3/q+1
InChIKeyVKIPZLAYWQCDKO-UHFFFAOYSA-N
XLogP17.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.27
LogP ≤ 517.52
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

9-(9,9-dimethylfluoren-2-yl)-2-phenyl-10-[3-(4-phenylphenyl)phenyl]anthracene
CID 59194700
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-(2-phenylphenyl)anthracene
CID 20822373
2-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]triphenylene;9-(9,9-dimethylfluoren-2-yl)-10-[4-(2-phenylphenyl)phenyl]anthracene;methane;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 160677802
10-(9,9-dimethylfluoren-2-yl)-2-phenanthren-9-yl-9-phenylanthracene
CID 140863269
9-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195223
9-(9,9-dimethylfluoren-3-yl)-10-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylanthracene
CID 59195039
2-(9,9-dimethylfluoren-2-yl)-9,10-diphenylanthracene;9,10-diphenyl-2-(4-phenylphenyl)anthracene;2-(4-naphthalen-1-ylphenyl)-9,10-diphenylanthracene;2-phenanthren-9-yl-9,10-diphenylanthracene
CID 161191738
3-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-phenylphenanthrene
CID 140942127
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
9-(9,9-dimethylfluoren-2-yl)-10-[7-(2,3-dimethyl-10-phenylanthracen-9-yl)-9,9-dimethylfluoren-2-yl]-2,3-dimethylanthracene
CID 20822196
4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2,6-diphenylpyridine
CID 130355500

Frequently Asked Questions

What is the IUPAC name of [2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylnaphthalen-1-yl)anthracen-2-yl]phenyl]-dimethylsilanylium?
The IUPAC name of [2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylnaphthalen-1-yl)anthracen-2-yl]phenyl]-dimethylsilanylium (CID 144661915) is [2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylnaphthalen-1-yl)anthracen-2-yl]phenyl]-dimethylsilanylium.
What is the SMILES notation for [2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylnaphthalen-1-yl)anthracen-2-yl]phenyl]-dimethylsilanylium?
The canonical SMILES for [2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylnaphthalen-1-yl)anthracen-2-yl]phenyl]-dimethylsilanylium is C[SiH2+](C)c1ccccc1-c1ccc2c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3cc(-c4ccc(-c5ccccc5)c5ccccc45)ccc3c(-c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2c1.
What is the InChIKey of [2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylnaphthalen-1-yl)anthracen-2-yl]phenyl]-dimethylsilanylium?
The InChIKey is VKIPZLAYWQCDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H55Si/c1-67(2)60-25-15-12-23-52(60)54-32-30-45(40-62(54)67)65-57-35-29-44(49-20-14-17-27-64(49)69(5)6)39-59(57)66(46-31-33-55-53-24-13-16-26-61(53)68(3,4)63(55)41-46)56-34-28-43(38-58(56)65)48-37-36-47(42-18-8-7-9-19-42)50-21-10-11-22-51(48)50/h7-41H,69H2,1-6H3/q+1.
What are the key properties of [2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylnaphthalen-1-yl)anthracen-2-yl]phenyl]-dimethylsilanylium?
[2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylnaphthalen-1-yl)anthracen-2-yl]phenyl]-dimethylsilanylium has a molecular weight of 900.27 g/mol, XLogP of 17.52, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[9,10-bis(9,9-dimethylfluoren-2-yl)-6-(4-phenylnaphthalen-1-yl)anthracen-2-yl]phenyl]-dimethylsilanylium is sourced from PubChem (CID 144661915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).