dimethyl-bis(12-phenyl-3-triphenylsilyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-8-yl)silane

C88H70N2Si3 — CID 58489592

IUPACdimethyl-bis(12-phenyl-3-triphenylsilyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-8-yl)silane
SMILESC[Si](C)(c1cccc2c1CC1=C2C2C(C=C1)c1cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc1N2c1ccccc1)c1cccc2c1CC1=C2C2C(C=C1)c1cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc1N2c1ccccc1
InChIInChI=1S/C88H70N2Si3/c1-91(2,83-47-27-45-73-79(83)57-61-49-53-75-77-59-71(51-55-81(77)89(87(75)85(61)73)63-29-11-3-12-30-63)92(65-33-15-5-16-34-65,66-35-17-6-18-36-66)67-37-19-7-20-38-67)84-48-28-46-74-80(84)58-62-50-54-76-78-60-72(52-56-82(78)90(88(76)86(62)74)64-31-13-4-14-32-64)93(68-39-21-8-22-40-68,69-41-23-9-24-42-69)70-43-25-10-26-44-70/h3-56,59-60,75-76,87-88H,57-58H2,1-2H3
InChIKeyREJUGJKYYNHKNZ-UHFFFAOYSA-N
MW1239.80 g/mol
LogP13.63
Rot. Bonds12

About dimethyl-bis(12-phenyl-3-triphenylsilyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-8-yl)silane

dimethyl-bis(12-phenyl-3-triphenylsilyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-8-yl)silane (PubChem CID 58489592) has the molecular formula C88H70N2Si3 and a molecular weight of 1239.80 g/mol. Its IUPAC name is dimethyl-bis(12-phenyl-3-triphenylsilyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-8-yl)silane.

Molecular Properties

Compound Namedimethyl-bis(12-phenyl-3-triphenylsilyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-8-yl)silane
PubChem CID58489592
Molecular FormulaC88H70N2Si3
Molecular Weight1239.80 g/mol
Exact Mass1238.48
IUPAC Namedimethyl-bis(12-phenyl-3-triphenylsilyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-8-yl)silane
SMILESC[Si](C)(c1cccc2c1CC1=C2C2C(C=C1)c1cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc1N2c1ccccc1)c1cccc2c1CC1=C2C2C(C=C1)c1cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc1N2c1ccccc1
InChIInChI=1S/C88H70N2Si3/c1-91(2,83-47-27-45-73-79(83)57-61-49-53-75-77-59-71(51-55-81(77)89(87(75)85(61)73)63-29-11-3-12-30-63)92(65-33-15-5-16-34-65,66-35-17-6-18-36-66)67-37-19-7-20-38-67)84-48-28-46-74-80(84)58-62-50-54-76-78-60-72(52-56-82(78)90(88(76)86(62)74)64-31-13-4-14-32-64)93(68-39-21-8-22-40-68,69-41-23-9-24-42-69)70-43-25-10-26-44-70/h3-56,59-60,75-76,87-88H,57-58H2,1-2H3
InChIKeyREJUGJKYYNHKNZ-UHFFFAOYSA-N
XLogP13.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001239.80
LogP ≤ 513.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-bis(12-phenyl-3-triphenylsilyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-8-yl)silane?
The IUPAC name of dimethyl-bis(12-phenyl-3-triphenylsilyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-8-yl)silane (CID 58489592) is dimethyl-bis(12-phenyl-3-triphenylsilyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-8-yl)silane.
What is the SMILES notation for dimethyl-bis(12-phenyl-3-triphenylsilyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-8-yl)silane?
The canonical SMILES for dimethyl-bis(12-phenyl-3-triphenylsilyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-8-yl)silane is C[Si](C)(c1cccc2c1CC1=C2C2C(C=C1)c1cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc1N2c1ccccc1)c1cccc2c1CC1=C2C2C(C=C1)c1cc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)ccc1N2c1ccccc1.
What is the InChIKey of dimethyl-bis(12-phenyl-3-triphenylsilyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-8-yl)silane?
The InChIKey is REJUGJKYYNHKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H70N2Si3/c1-91(2,83-47-27-45-73-79(83)57-61-49-53-75-77-59-71(51-55-81(77)89(87(75)85(61)73)63-29-11-3-12-30-63)92(65-33-15-5-16-34-65,66-35-17-6-18-36-66)67-37-19-7-20-38-67)84-48-28-46-74-80(84)58-62-50-54-76-78-60-72(52-56-82(78)90(88(76)86(62)74)64-31-13-4-14-32-64)93(68-39-21-8-22-40-68,69-41-23-9-24-42-69)70-43-25-10-26-44-70/h3-56,59-60,75-76,87-88H,57-58H2,1-2H3.
What are the key properties of dimethyl-bis(12-phenyl-3-triphenylsilyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-8-yl)silane?
dimethyl-bis(12-phenyl-3-triphenylsilyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-8-yl)silane has a molecular weight of 1239.80 g/mol, XLogP of 13.63, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(12-phenyl-3-triphenylsilyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-8-yl)silane is sourced from PubChem (CID 58489592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).