bis(2-carbazol-9-yl-5-phenyl-12H-indeno[1,2-c]carbazol-9-yl)-dimethylsilane

C76H52N4Si — CID 58489573

IUPACbis(2-carbazol-9-yl-5-phenyl-12H-indeno[1,2-c]carbazol-9-yl)-dimethylsilane
SMILESC[Si](C)(c1ccc2c(c1)-c1ccc3c(c1C2)c1cc(-n2c4ccccc4c4ccccc42)ccc1n3-c1ccccc1)c1ccc2c(c1)-c1ccc3c(c1C2)c1cc(-n2c4ccccc4c4ccccc42)ccc1n3-c1ccccc1
InChIInChI=1S/C76H52N4Si/c1-81(2,53-33-29-47-41-63-55(61(47)45-53)35-39-73-75(63)65-43-51(31-37-71(65)77(73)49-17-5-3-6-18-49)79-67-25-13-9-21-57(67)58-22-10-14-26-68(58)79)54-34-30-48-42-64-56(62(48)46-54)36-40-74-76(64)66-44-52(32-38-72(66)78(74)50-19-7-4-8-20-50)80-69-27-15-11-23-59(69)60-24-12-16-28-70(60)80/h3-40,43-46H,41-42H2,1-2H3
InChIKeyIDFNNQAKPJUWFH-UHFFFAOYSA-N
MW1049.37 g/mol
LogP18.04
Rot. Bonds6

About bis(2-carbazol-9-yl-5-phenyl-12H-indeno[1,2-c]carbazol-9-yl)-dimethylsilane

bis(2-carbazol-9-yl-5-phenyl-12H-indeno[1,2-c]carbazol-9-yl)-dimethylsilane (PubChem CID 58489573) has the molecular formula C76H52N4Si and a molecular weight of 1049.37 g/mol. Its IUPAC name is bis(2-carbazol-9-yl-5-phenyl-12H-indeno[1,2-c]carbazol-9-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(2-carbazol-9-yl-5-phenyl-12H-indeno[1,2-c]carbazol-9-yl)-dimethylsilane
PubChem CID58489573
Molecular FormulaC76H52N4Si
Molecular Weight1049.37 g/mol
Exact Mass1048.40
IUPAC Namebis(2-carbazol-9-yl-5-phenyl-12H-indeno[1,2-c]carbazol-9-yl)-dimethylsilane
SMILESC[Si](C)(c1ccc2c(c1)-c1ccc3c(c1C2)c1cc(-n2c4ccccc4c4ccccc42)ccc1n3-c1ccccc1)c1ccc2c(c1)-c1ccc3c(c1C2)c1cc(-n2c4ccccc4c4ccccc42)ccc1n3-c1ccccc1
InChIInChI=1S/C76H52N4Si/c1-81(2,53-33-29-47-41-63-55(61(47)45-53)35-39-73-75(63)65-43-51(31-37-71(65)77(73)49-17-5-3-6-18-49)79-67-25-13-9-21-57(67)58-22-10-14-26-68(58)79)54-34-30-48-42-64-56(62(48)46-54)36-40-74-76(64)66-44-52(32-38-72(66)78(74)50-19-7-4-8-20-50)80-69-27-15-11-23-59(69)60-24-12-16-28-70(60)80/h3-40,43-46H,41-42H2,1-2H3
InChIKeyIDFNNQAKPJUWFH-UHFFFAOYSA-N
XLogP18.04
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.37
LogP ≤ 518.04
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-tert-butyl-8-carbazol-9-yl-11-phenyl-12H-indeno[2,1-a]carbazole
CID 58489632
5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-12H-indeno[1,2-c]carbazole
CID 161288735
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole
CID 59464809
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
3-carbazol-9-yl-9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]carbazole
CID 159941537
5-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]-12-phenylindolo[3,2-c]carbazole
CID 144953418
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
5-(9H-fluoren-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 130417397
5-(9H-fluoren-3-yl)-12-phenylindolo[3,2-c]carbazole
CID 121289125
9-(6-carbazol-9-yl-9H-fluoren-3-yl)carbazole;1-[3,6-di(carbazol-9-yl)carbazol-9-yl]ethanone
CID 160891883
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751

Frequently Asked Questions

What is the IUPAC name of bis(2-carbazol-9-yl-5-phenyl-12H-indeno[1,2-c]carbazol-9-yl)-dimethylsilane?
The IUPAC name of bis(2-carbazol-9-yl-5-phenyl-12H-indeno[1,2-c]carbazol-9-yl)-dimethylsilane (CID 58489573) is bis(2-carbazol-9-yl-5-phenyl-12H-indeno[1,2-c]carbazol-9-yl)-dimethylsilane.
What is the SMILES notation for bis(2-carbazol-9-yl-5-phenyl-12H-indeno[1,2-c]carbazol-9-yl)-dimethylsilane?
The canonical SMILES for bis(2-carbazol-9-yl-5-phenyl-12H-indeno[1,2-c]carbazol-9-yl)-dimethylsilane is C[Si](C)(c1ccc2c(c1)-c1ccc3c(c1C2)c1cc(-n2c4ccccc4c4ccccc42)ccc1n3-c1ccccc1)c1ccc2c(c1)-c1ccc3c(c1C2)c1cc(-n2c4ccccc4c4ccccc42)ccc1n3-c1ccccc1.
What is the InChIKey of bis(2-carbazol-9-yl-5-phenyl-12H-indeno[1,2-c]carbazol-9-yl)-dimethylsilane?
The InChIKey is IDFNNQAKPJUWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H52N4Si/c1-81(2,53-33-29-47-41-63-55(61(47)45-53)35-39-73-75(63)65-43-51(31-37-71(65)77(73)49-17-5-3-6-18-49)79-67-25-13-9-21-57(67)58-22-10-14-26-68(58)79)54-34-30-48-42-64-56(62(48)46-54)36-40-74-76(64)66-44-52(32-38-72(66)78(74)50-19-7-4-8-20-50)80-69-27-15-11-23-59(69)60-24-12-16-28-70(60)80/h3-40,43-46H,41-42H2,1-2H3.
What are the key properties of bis(2-carbazol-9-yl-5-phenyl-12H-indeno[1,2-c]carbazol-9-yl)-dimethylsilane?
bis(2-carbazol-9-yl-5-phenyl-12H-indeno[1,2-c]carbazol-9-yl)-dimethylsilane has a molecular weight of 1049.37 g/mol, XLogP of 18.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-carbazol-9-yl-5-phenyl-12H-indeno[1,2-c]carbazol-9-yl)-dimethylsilane is sourced from PubChem (CID 58489573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).