[4-[1-[6-[2,3-bis(4-trimethylsilylphenyl)indol-1-yl]-9,10-diphenylanthracen-2-yl]-2-(4-trimethylsilylphenyl)indol-3-yl]phenyl]-trimethylsilane

C78H76N2Si4 — CID 123561990

IUPAC[4-[1-[6-[2,3-bis(4-trimethylsilylphenyl)indol-1-yl]-9,10-diphenylanthracen-2-yl]-2-(4-trimethylsilylphenyl)indol-3-yl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2c(-c3ccc([Si](C)(C)C)cc3)n(-c3ccc4c(-c5ccccc5)c5cc(-n6c(-c7ccc([Si](C)(C)C)cc7)c(-c7ccc([Si](C)(C)C)cc7)c7ccccc76)ccc5c(-c5ccccc5)c4c3)c3ccccc23)cc1
InChIInChI=1S/C78H76N2Si4/c1-81(2,3)61-41-31-55(32-42-61)75-67-27-19-21-29-71(67)79(77(75)57-35-45-63(46-36-57)83(7,8)9)59-39-49-65-69(51-59)73(53-23-15-13-16-24-53)66-50-40-60(52-70(66)74(65)54-25-17-14-18-26-54)80-72-30-22-20-28-68(72)76(56-33-43-62(44-34-56)82(4,5)6)78(80)58-37-47-64(48-38-58)84(10,11)12/h13-52H,1-12H3
InChIKeyFQHABDMCYXHCNF-UHFFFAOYSA-N
MW1153.82 g/mol
LogP20.06
Rot. Bonds12

About [4-[1-[6-[2,3-bis(4-trimethylsilylphenyl)indol-1-yl]-9,10-diphenylanthracen-2-yl]-2-(4-trimethylsilylphenyl)indol-3-yl]phenyl]-trimethylsilane

[4-[1-[6-[2,3-bis(4-trimethylsilylphenyl)indol-1-yl]-9,10-diphenylanthracen-2-yl]-2-(4-trimethylsilylphenyl)indol-3-yl]phenyl]-trimethylsilane (PubChem CID 123561990) has the molecular formula C78H76N2Si4 and a molecular weight of 1153.82 g/mol. Its IUPAC name is [4-[1-[6-[2,3-bis(4-trimethylsilylphenyl)indol-1-yl]-9,10-diphenylanthracen-2-yl]-2-(4-trimethylsilylphenyl)indol-3-yl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[4-[1-[6-[2,3-bis(4-trimethylsilylphenyl)indol-1-yl]-9,10-diphenylanthracen-2-yl]-2-(4-trimethylsilylphenyl)indol-3-yl]phenyl]-trimethylsilane
PubChem CID123561990
Molecular FormulaC78H76N2Si4
Molecular Weight1153.82 g/mol
Exact Mass1152.51
IUPAC Name[4-[1-[6-[2,3-bis(4-trimethylsilylphenyl)indol-1-yl]-9,10-diphenylanthracen-2-yl]-2-(4-trimethylsilylphenyl)indol-3-yl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc(-c2c(-c3ccc([Si](C)(C)C)cc3)n(-c3ccc4c(-c5ccccc5)c5cc(-n6c(-c7ccc([Si](C)(C)C)cc7)c(-c7ccc([Si](C)(C)C)cc7)c7ccccc76)ccc5c(-c5ccccc5)c4c3)c3ccccc23)cc1
InChIInChI=1S/C78H76N2Si4/c1-81(2,3)61-41-31-55(32-42-61)75-67-27-19-21-29-71(67)79(77(75)57-35-45-63(46-36-57)83(7,8)9)59-39-49-65-69(51-59)73(53-23-15-13-16-24-53)66-50-40-60(52-70(66)74(65)54-25-17-14-18-26-54)80-72-30-22-20-28-68(72)76(56-33-43-62(44-34-56)82(4,5)6)78(80)58-37-47-64(48-38-58)84(10,11)12/h13-52H,1-12H3
InChIKeyFQHABDMCYXHCNF-UHFFFAOYSA-N
XLogP20.06
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001153.82
LogP ≤ 520.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-phenylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane
CID 59357105
[4-[2,6-bis[3,6-bis(trimethylsilyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane
CID 59357230
1-[7-[2,3-bis(4-methylphenyl)indol-1-yl]pyren-2-yl]-2,3-bis(4-methylphenyl)indole;1-[7-[2,3-bis(4-phenylphenyl)indol-1-yl]pyren-2-yl]-2,3-bis(4-phenylphenyl)indole;[4-[1-[7-[2,3-bis(4-trimethylsilylphenyl)indol-1-yl]pyren-2-yl]-2-(4-trimethylsilylphenyl)indol-3-yl]phenyl]-trimethylsilane;1-[7-(2,3-dinaphthalen-2-ylindol-1-yl)pyren-2-yl]-2,3-dinaphthalen-2-ylindole;1-[7-(2,3-diphenylindol-1-yl)pyren-2-yl]-2,3-diphenylindole
CID 159411780
[4-[10-[3,5-bis[10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-trimethylsilane
CID 58722457
[9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-tert-butylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane
CID 59357156
[4-(2,10-diphenylanthracen-9-yl)phenyl]-dimethyl-(9-phenylcarbazol-3-yl)silane
CID 123602707
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473
trimethyl-[9-(9-phenylcarbazol-3-yl)-7-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane
CID 123575864
[9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis[4-[4-(trifluoromethyl)phenyl]phenyl]anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane
CID 59357292
3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
CID 129085579
1-[12-(2,3-diphenylindol-1-yl)chrysen-6-yl]-2,3-diphenylindole;1-[4-[4-(2,3-diphenylindol-1-yl)phenyl]phenyl]-2,3-diphenylindole
CID 162026285
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 59844582

Frequently Asked Questions

What is the IUPAC name of [4-[1-[6-[2,3-bis(4-trimethylsilylphenyl)indol-1-yl]-9,10-diphenylanthracen-2-yl]-2-(4-trimethylsilylphenyl)indol-3-yl]phenyl]-trimethylsilane?
The IUPAC name of [4-[1-[6-[2,3-bis(4-trimethylsilylphenyl)indol-1-yl]-9,10-diphenylanthracen-2-yl]-2-(4-trimethylsilylphenyl)indol-3-yl]phenyl]-trimethylsilane (CID 123561990) is [4-[1-[6-[2,3-bis(4-trimethylsilylphenyl)indol-1-yl]-9,10-diphenylanthracen-2-yl]-2-(4-trimethylsilylphenyl)indol-3-yl]phenyl]-trimethylsilane.
What is the SMILES notation for [4-[1-[6-[2,3-bis(4-trimethylsilylphenyl)indol-1-yl]-9,10-diphenylanthracen-2-yl]-2-(4-trimethylsilylphenyl)indol-3-yl]phenyl]-trimethylsilane?
The canonical SMILES for [4-[1-[6-[2,3-bis(4-trimethylsilylphenyl)indol-1-yl]-9,10-diphenylanthracen-2-yl]-2-(4-trimethylsilylphenyl)indol-3-yl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccc(-c2c(-c3ccc([Si](C)(C)C)cc3)n(-c3ccc4c(-c5ccccc5)c5cc(-n6c(-c7ccc([Si](C)(C)C)cc7)c(-c7ccc([Si](C)(C)C)cc7)c7ccccc76)ccc5c(-c5ccccc5)c4c3)c3ccccc23)cc1.
What is the InChIKey of [4-[1-[6-[2,3-bis(4-trimethylsilylphenyl)indol-1-yl]-9,10-diphenylanthracen-2-yl]-2-(4-trimethylsilylphenyl)indol-3-yl]phenyl]-trimethylsilane?
The InChIKey is FQHABDMCYXHCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H76N2Si4/c1-81(2,3)61-41-31-55(32-42-61)75-67-27-19-21-29-71(67)79(77(75)57-35-45-63(46-36-57)83(7,8)9)59-39-49-65-69(51-59)73(53-23-15-13-16-24-53)66-50-40-60(52-70(66)74(65)54-25-17-14-18-26-54)80-72-30-22-20-28-68(72)76(56-33-43-62(44-34-56)82(4,5)6)78(80)58-37-47-64(48-38-58)84(10,11)12/h13-52H,1-12H3.
What are the key properties of [4-[1-[6-[2,3-bis(4-trimethylsilylphenyl)indol-1-yl]-9,10-diphenylanthracen-2-yl]-2-(4-trimethylsilylphenyl)indol-3-yl]phenyl]-trimethylsilane?
[4-[1-[6-[2,3-bis(4-trimethylsilylphenyl)indol-1-yl]-9,10-diphenylanthracen-2-yl]-2-(4-trimethylsilylphenyl)indol-3-yl]phenyl]-trimethylsilane has a molecular weight of 1153.82 g/mol, XLogP of 20.06, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[6-[2,3-bis(4-trimethylsilylphenyl)indol-1-yl]-9,10-diphenylanthracen-2-yl]-2-(4-trimethylsilylphenyl)indol-3-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 123561990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).