bis(10-carbazol-9-yl-12-phenyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-3-yl)-dimethylsilane

C76H56N4Si — CID 58489513

IUPACbis(10-carbazol-9-yl-12-phenyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-3-yl)-dimethylsilane
SMILESC[Si](C)(c1ccc2c(c1)C1C=CC3=C(c4cc(-n5c6ccccc6c6ccccc65)ccc4C3)C1N2c1ccccc1)c1ccc2c(c1)C1C=CC3=C(c4cc(-n5c6ccccc6c6ccccc65)ccc4C3)C1N2c1ccccc1
InChIInChI=1S/C76H56N4Si/c1-81(2,55-35-39-71-65(45-55)61-37-31-49-41-47-29-33-53(43-63(47)73(49)75(61)79(71)51-17-5-3-6-18-51)77-67-25-13-9-21-57(67)58-22-10-14-26-68(58)77)56-36-40-72-66(46-56)62-38-32-50-42-48-30-34-54(44-64(48)74(50)76(62)80(72)52-19-7-4-8-20-52)78-69-27-15-11-23-59(69)60-24-12-16-28-70(60)78/h3-40,43-46,61-62,75-76H,41-42H2,1-2H3
InChIKeyXDMHUIDYOCXLGZ-UHFFFAOYSA-N
MW1053.40 g/mol
LogP17.07
Rot. Bonds6

About bis(10-carbazol-9-yl-12-phenyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-3-yl)-dimethylsilane

bis(10-carbazol-9-yl-12-phenyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-3-yl)-dimethylsilane (PubChem CID 58489513) has the molecular formula C76H56N4Si and a molecular weight of 1053.40 g/mol. Its IUPAC name is bis(10-carbazol-9-yl-12-phenyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-3-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(10-carbazol-9-yl-12-phenyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-3-yl)-dimethylsilane
PubChem CID58489513
Molecular FormulaC76H56N4Si
Molecular Weight1053.40 g/mol
Exact Mass1052.43
IUPAC Namebis(10-carbazol-9-yl-12-phenyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-3-yl)-dimethylsilane
SMILESC[Si](C)(c1ccc2c(c1)C1C=CC3=C(c4cc(-n5c6ccccc6c6ccccc65)ccc4C3)C1N2c1ccccc1)c1ccc2c(c1)C1C=CC3=C(c4cc(-n5c6ccccc6c6ccccc65)ccc4C3)C1N2c1ccccc1
InChIInChI=1S/C76H56N4Si/c1-81(2,55-35-39-71-65(45-55)61-37-31-49-41-47-29-33-53(43-63(47)73(49)75(61)79(71)51-17-5-3-6-18-51)77-67-25-13-9-21-57(67)58-22-10-14-26-68(58)77)56-36-40-72-66(46-56)62-38-32-50-42-48-30-34-54(44-64(48)74(50)76(62)80(72)52-19-7-4-8-20-52)78-69-27-15-11-23-59(69)60-24-12-16-28-70(60)78/h3-40,43-46,61-62,75-76H,41-42H2,1-2H3
InChIKeyXDMHUIDYOCXLGZ-UHFFFAOYSA-N
XLogP17.07
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.40
LogP ≤ 517.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-carbazol-9-yl-12-phenyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-8-yl)-triphenylsilane
CID 58489557
(10-carbazol-9-yl-12-phenyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-8-yl)-triphenylsilane
CID 58489615
bis(2-carbazol-9-yl-5-phenyl-12H-indeno[1,2-c]carbazol-9-yl)-dimethylsilane
CID 58489573
9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole
CID 59464809
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole
CID 159941537
9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 146530782
3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 123217944
9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
12,12-dimethyl-8-(9-phenylcarbazol-3-yl)-11-[4-(4-phenylquinazolin-2-yl)phenyl]-6a,11a-dihydroindeno[2,1-a]carbazole
CID 67700976
12-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)-5-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 123460055
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868

Frequently Asked Questions

What is the IUPAC name of bis(10-carbazol-9-yl-12-phenyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-3-yl)-dimethylsilane?
The IUPAC name of bis(10-carbazol-9-yl-12-phenyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-3-yl)-dimethylsilane (CID 58489513) is bis(10-carbazol-9-yl-12-phenyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-3-yl)-dimethylsilane.
What is the SMILES notation for bis(10-carbazol-9-yl-12-phenyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-3-yl)-dimethylsilane?
The canonical SMILES for bis(10-carbazol-9-yl-12-phenyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-3-yl)-dimethylsilane is C[Si](C)(c1ccc2c(c1)C1C=CC3=C(c4cc(-n5c6ccccc6c6ccccc65)ccc4C3)C1N2c1ccccc1)c1ccc2c(c1)C1C=CC3=C(c4cc(-n5c6ccccc6c6ccccc65)ccc4C3)C1N2c1ccccc1.
What is the InChIKey of bis(10-carbazol-9-yl-12-phenyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-3-yl)-dimethylsilane?
The InChIKey is XDMHUIDYOCXLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H56N4Si/c1-81(2,55-35-39-71-65(45-55)61-37-31-49-41-47-29-33-53(43-63(47)73(49)75(61)79(71)51-17-5-3-6-18-51)77-67-25-13-9-21-57(67)58-22-10-14-26-68(58)77)56-36-40-72-66(46-56)62-38-32-50-42-48-30-34-54(44-64(48)74(50)76(62)80(72)52-19-7-4-8-20-52)78-69-27-15-11-23-59(69)60-24-12-16-28-70(60)78/h3-40,43-46,61-62,75-76H,41-42H2,1-2H3.
What are the key properties of bis(10-carbazol-9-yl-12-phenyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-3-yl)-dimethylsilane?
bis(10-carbazol-9-yl-12-phenyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-3-yl)-dimethylsilane has a molecular weight of 1053.40 g/mol, XLogP of 17.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(10-carbazol-9-yl-12-phenyl-7,11c-dihydro-4bH-indeno[1,2-a]carbazol-3-yl)-dimethylsilane is sourced from PubChem (CID 58489513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).