[9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane

C82H76N6Si4 — CID 59357255

IUPAC[9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc2c(c1)c1cc([Si](C)(C)C)ccc1n2-c1ccc2c(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)c3cc(-n4c5ccc([Si](C)(C)C)cc5c5cc([Si](C)(C)C)ccc54)ccc3c(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)c2c1
InChIInChI=1S/C82H76N6Si4/c1-89(2,3)61-27-33-77-67(49-61)68-50-62(90(4,5)6)28-34-78(68)87(77)59-25-31-65-71(47-59)81(57-43-53(73-21-13-17-37-83-73)41-54(44-57)74-22-14-18-38-84-74)66-32-26-60(88-79-35-29-63(91(7,8)9)51-69(79)70-52-64(92(10,11)12)30-36-80(70)88)48-72(66)82(65)58-45-55(75-23-15-19-39-85-75)42-56(46-58)76-24-16-20-40-86-76/h13-52H,1-12H3
InChIKeyHYVKDORINDXBQL-UHFFFAOYSA-N
MW1257.90 g/mol
LogP19.95
Rot. Bonds12

About [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane

[9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane (PubChem CID 59357255) has the molecular formula C82H76N6Si4 and a molecular weight of 1257.90 g/mol. Its IUPAC name is [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane.

Molecular Properties

Compound Name[9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane
PubChem CID59357255
Molecular FormulaC82H76N6Si4
Molecular Weight1257.90 g/mol
Exact Mass1256.52
IUPAC Name[9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane
SMILESC[Si](C)(C)c1ccc2c(c1)c1cc([Si](C)(C)C)ccc1n2-c1ccc2c(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)c3cc(-n4c5ccc([Si](C)(C)C)cc5c5cc([Si](C)(C)C)ccc54)ccc3c(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)c2c1
InChIInChI=1S/C82H76N6Si4/c1-89(2,3)61-27-33-77-67(49-61)68-50-62(90(4,5)6)28-34-78(68)87(77)59-25-31-65-71(47-59)81(57-43-53(73-21-13-17-37-83-73)41-54(44-57)74-22-14-18-38-84-74)66-32-26-60(88-79-35-29-63(91(7,8)9)51-69(79)70-52-64(92(10,11)12)30-36-80(70)88)48-72(66)82(65)58-45-55(75-23-15-19-39-85-75)42-56(46-58)76-24-16-20-40-86-76/h13-52H,1-12H3
InChIKeyHYVKDORINDXBQL-UHFFFAOYSA-N
XLogP19.95
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001257.90
LogP ≤ 519.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane?
The IUPAC name of [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane (CID 59357255) is [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)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(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane?
The canonical SMILES for [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane is C[Si](C)(C)c1ccc2c(c1)c1cc([Si](C)(C)C)ccc1n2-c1ccc2c(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)c3cc(-n4c5ccc([Si](C)(C)C)cc5c5cc([Si](C)(C)C)ccc54)ccc3c(-c3cc(-c4ccccn4)cc(-c4ccccn4)c3)c2c1.
What is the InChIKey of [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane?
The InChIKey is HYVKDORINDXBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H76N6Si4/c1-89(2,3)61-27-33-77-67(49-61)68-50-62(90(4,5)6)28-34-78(68)87(77)59-25-31-65-71(47-59)81(57-43-53(73-21-13-17-37-83-73)41-54(44-57)74-22-14-18-38-84-74)66-32-26-60(88-79-35-29-63(91(7,8)9)51-69(79)70-52-64(92(10,11)12)30-36-80(70)88)48-72(66)82(65)58-45-55(75-23-15-19-39-85-75)42-56(46-58)76-24-16-20-40-86-76/h13-52H,1-12H3.
What are the key properties of [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane?
[9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane has a molecular weight of 1257.90 g/mol, XLogP of 19.95, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[6-[3,6-bis(trimethylsilyl)carbazol-9-yl]-9,10-bis(3,5-dipyridin-2-ylphenyl)anthracen-2-yl]-6-trimethylsilylcarbazol-3-yl]-trimethylsilane is sourced from PubChem (CID 59357255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).