[9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-phenylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane

C74H72N2Si4 — CID 59357105

IUPAC[9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-phenylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc2c(c1)c1cc([Si](C)(C)C)ccc1n2-c1ccc2c(-c3ccc(-c4ccccc4)cc3)c3cc(-n4c5ccc([Si](C)(C)C)cc5c5cc([Si](C)(C)C)ccc54)ccc3c(-c3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C74H72N2Si4/c1-77(2,3)57-33-39-69-63(45-57)64-46-58(78(4,5)6)34-40-70(64)75(69)55-31-37-61-67(43-55)73(53-27-23-51(24-28-53)49-19-15-13-16-20-49)62-38-32-56(44-68(62)74(61)54-29-25-52(26-30-54)50-21-17-14-18-22-50)76-71-41-35-59(79(7,8)9)47-65(71)66-48-60(80(10,11)12)36-42-72(66)76/h13-48H,1-12H3
InChIKeyGCIILJLRKBNDSX-UHFFFAOYSA-N
MW1101.75 g/mol
LogP19.04
Rot. Bonds10

About [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-phenylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane

[9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-phenylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane (PubChem CID 59357105) has the molecular formula C74H72N2Si4 and a molecular weight of 1101.75 g/mol. Its IUPAC name is [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-phenylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-phenylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane
PubChem CID59357105
Molecular FormulaC74H72N2Si4
Molecular Weight1101.75 g/mol
Exact Mass1100.48
IUPAC Name[9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-phenylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc2c(c1)c1cc([Si](C)(C)C)ccc1n2-c1ccc2c(-c3ccc(-c4ccccc4)cc3)c3cc(-n4c5ccc([Si](C)(C)C)cc5c5cc([Si](C)(C)C)ccc54)ccc3c(-c3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C74H72N2Si4/c1-77(2,3)57-33-39-69-63(45-57)64-46-58(78(4,5)6)34-40-70(64)75(69)55-31-37-61-67(43-55)73(53-27-23-51(24-28-53)49-19-15-13-16-20-49)62-38-32-56(44-68(62)74(61)54-29-25-52(26-30-54)50-21-17-14-18-22-50)76-71-41-35-59(79(7,8)9)47-65(71)66-48-60(80(10,11)12)36-42-72(66)76/h13-48H,1-12H3
InChIKeyGCIILJLRKBNDSX-UHFFFAOYSA-N
XLogP19.04
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001101.75
LogP ≤ 519.04
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

[4-[2,6-bis[3,6-bis(trimethylsilyl)carbazol-9-yl]-10-(4-trimethylsilylphenyl)anthracen-9-yl]phenyl]-trimethylsilane
CID 59357230
[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
[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-[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
[9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(2-methylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane
CID 59357271
[4-(2,10-diphenylanthracen-9-yl)phenyl]-dimethyl-(9-phenylcarbazol-3-yl)silane
CID 123602707
trimethyl-[9-(9-phenylcarbazol-3-yl)-7-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane
CID 123575864
trimethyl-[9-(9-phenylcarbazol-2-yl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane
CID 123744024
3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(3-phenylphenyl)anthracen-2-yl]carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9,10-bis(4-phenylphenyl)anthracen-2-yl]carbazole
CID 157143874
trimethyl-(10-naphthalen-2-yl-9-phenylanthracen-2-yl)silane
CID 123999197
trimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane
CID 157160990
9-[4-[10-(4-carbazol-9-ylphenyl)-2-[4-(10-phenylanthracen-9-yl)phenyl]anthracen-9-yl]phenyl]carbazole
CID 58963473

Frequently Asked Questions

What is the IUPAC name of [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-phenylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane?
The IUPAC name of [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-phenylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane (CID 59357105) is [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-phenylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane.
What is the SMILES notation for [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-phenylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane?
The canonical SMILES for [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-phenylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane is C[Si](C)(C)c1ccc2c(c1)c1cc([Si](C)(C)C)ccc1n2-c1ccc2c(-c3ccc(-c4ccccc4)cc3)c3cc(-n4c5ccc([Si](C)(C)C)cc5c5cc([Si](C)(C)C)ccc54)ccc3c(-c3ccc(-c4ccccc4)cc3)c2c1.
What is the InChIKey of [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-phenylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane?
The InChIKey is GCIILJLRKBNDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H72N2Si4/c1-77(2,3)57-33-39-69-63(45-57)64-46-58(78(4,5)6)34-40-70(64)75(69)55-31-37-61-67(43-55)73(53-27-23-51(24-28-53)49-19-15-13-16-20-49)62-38-32-56(44-68(62)74(61)54-29-25-52(26-30-54)50-21-17-14-18-22-50)76-71-41-35-59(79(7,8)9)47-65(71)66-48-60(80(10,11)12)36-42-72(66)76/h13-48H,1-12H3.
What are the key properties of [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-phenylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane?
[9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-phenylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane has a molecular weight of 1101.75 g/mol, XLogP of 19.04, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(4-phenylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane is sourced from PubChem (CID 59357105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).