[6-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-4-yl]-triphenylsilane

C61H41N5Si — CID 169290711

IUPAC[6-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-4-yl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2nc2n(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccccc4n32)cc1
InChIInChI=1S/C61H41N5Si/c1-4-22-45(23-5-1)67(46-24-6-2-7-25-46,47-26-8-3-9-27-47)59-37-19-36-58-60(59)62-61-65(56-34-16-17-35-57(56)66(58)61)44-38-39-55-51(41-44)50-30-12-15-33-54(50)64(55)43-21-18-20-42(40-43)63-52-31-13-10-28-48(52)49-29-11-14-32-53(49)63/h1-41H
InChIKeyKNVRCYGBJDXNPN-UHFFFAOYSA-N
MW872.12 g/mol
LogP12.00
Rot. Bonds7

About [6-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-4-yl]-triphenylsilane

[6-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-4-yl]-triphenylsilane (PubChem CID 169290711) has the molecular formula C61H41N5Si and a molecular weight of 872.12 g/mol. Its IUPAC name is [6-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-4-yl]-triphenylsilane.

Molecular Properties

Compound Name[6-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-4-yl]-triphenylsilane
PubChem CID169290711
Molecular FormulaC61H41N5Si
Molecular Weight872.12 g/mol
Exact Mass871.31
IUPAC Name[6-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-4-yl]-triphenylsilane
SMILESc1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2nc2n(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccccc4n32)cc1
InChIInChI=1S/C61H41N5Si/c1-4-22-45(23-5-1)67(46-24-6-2-7-25-46,47-26-8-3-9-27-47)59-37-19-36-58-60(59)62-61-65(56-34-16-17-35-57(56)66(58)61)44-38-39-55-51(41-44)50-30-12-15-33-54(50)64(55)43-21-18-20-42(40-43)63-52-31-13-10-28-48(52)49-29-11-14-32-53(49)63/h1-41H
InChIKeyKNVRCYGBJDXNPN-UHFFFAOYSA-N
XLogP12.00
TPSA32.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.12
LogP ≤ 512.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 171405556
[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-[3-(17-carbazol-9-yl-3-oxa-14,21,23-triazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15(20),16,18,22-decaen-21-yl)phenyl]-diphenylsilane
CID 176725053
9-phenyl-19-(9-phenylcarbazol-3-yl)-2,9,11,19-tetrazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene
CID 154646612
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 169077493
(3-carbazol-9-ylphenyl)-[3-[3-[4-[diphenyl-(3-phenylphenyl)silyl]carbazol-9-yl]carbazol-9-yl]phenyl]-diphenylsilane
CID 171458462
(3-carbazol-9-ylphenyl)-triphenylsilane
CID 58926933
[3-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 176643464
[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]phenyl]-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462949
[3-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 162492124
3,21-bis(3-methylphenyl)-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaene
CID 156574320

Frequently Asked Questions

What is the IUPAC name of [6-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-4-yl]-triphenylsilane?
The IUPAC name of [6-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-4-yl]-triphenylsilane (CID 169290711) is [6-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-4-yl]-triphenylsilane.
What is the SMILES notation for [6-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-4-yl]-triphenylsilane?
The canonical SMILES for [6-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-4-yl]-triphenylsilane is c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc3c2nc2n(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-n5c6ccccc6c6ccccc65)c4)c4ccccc4n32)cc1.
What is the InChIKey of [6-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-4-yl]-triphenylsilane?
The InChIKey is KNVRCYGBJDXNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N5Si/c1-4-22-45(23-5-1)67(46-24-6-2-7-25-46,47-26-8-3-9-27-47)59-37-19-36-58-60(59)62-61-65(56-34-16-17-35-57(56)66(58)61)44-38-39-55-51(41-44)50-30-12-15-33-54(50)64(55)43-21-18-20-42(40-43)63-52-31-13-10-28-48(52)49-29-11-14-32-53(49)63/h1-41H.
What are the key properties of [6-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-4-yl]-triphenylsilane?
[6-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-4-yl]-triphenylsilane has a molecular weight of 872.12 g/mol, XLogP of 12.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazol-4-yl]-triphenylsilane is sourced from PubChem (CID 169290711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).