[3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane

C60H41N3Si — CID 170515408

IUPAC[3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5c([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c(-n6c7ccccc7c7ccccc76)ccc54)ccc32)cc1
InChIInChI=1S/C60H41N3Si/c1-5-21-42(22-6-1)61-52-33-17-15-31-49(52)51-41-43(37-38-56(51)61)62-55-36-20-16-32-50(55)59-57(62)39-40-58(63-53-34-18-13-29-47(53)48-30-14-19-35-54(48)63)60(59)64(44-23-7-2-8-24-44,45-25-9-3-10-26-45)46-27-11-4-12-28-46/h1-41H
InChIKeyMXZSLGBXCCSEHF-UHFFFAOYSA-N
MW832.10 g/mol
LogP12.36
Rot. Bonds7

About [3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane

[3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane (PubChem CID 170515408) has the molecular formula C60H41N3Si and a molecular weight of 832.10 g/mol. Its IUPAC name is [3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane.

Molecular Properties

Compound Name[3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane
PubChem CID170515408
Molecular FormulaC60H41N3Si
Molecular Weight832.10 g/mol
Exact Mass831.31
IUPAC Name[3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5c([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c(-n6c7ccccc7c7ccccc76)ccc54)ccc32)cc1
InChIInChI=1S/C60H41N3Si/c1-5-21-42(22-6-1)61-52-33-17-15-31-49(52)51-41-43(37-38-56(51)61)62-55-36-20-16-32-50(55)59-57(62)39-40-58(63-53-34-18-13-29-47(53)48-30-14-19-35-54(48)63)60(59)64(44-23-7-2-8-24-44,45-25-9-3-10-26-45)46-27-11-4-12-28-46/h1-41H
InChIKeyMXZSLGBXCCSEHF-UHFFFAOYSA-N
XLogP12.36
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.10
LogP ≤ 512.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
CID 170515214
[3-[4-carbazol-9-yl-3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 171405539
[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
triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-4-yl]silane
CID 170516082
triphenyl-[4-[4-[3-(3-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588633
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
[2-(3-carbazol-9-ylcarbazol-9-yl)-5-triphenylsilylphenyl]-triphenylsilane
CID 177105259
diphenyl-[4-(9-phenylcarbazol-3-yl)phenyl]-[4-(14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)phenyl]silane
CID 140842607
[3-[4-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588383
[7-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-triphenylsilane
CID 170516315
triphenyl-[3-[3-[3-(9-phenylcarbazol-4-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166589061

Frequently Asked Questions

What is the IUPAC name of [3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane?
The IUPAC name of [3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane (CID 170515408) is [3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane.
What is the SMILES notation for [3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane?
The canonical SMILES for [3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane is c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5c([Si](c6ccccc6)(c6ccccc6)c6ccccc6)c(-n6c7ccccc7c7ccccc76)ccc54)ccc32)cc1.
What is the InChIKey of [3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane?
The InChIKey is MXZSLGBXCCSEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3Si/c1-5-21-42(22-6-1)61-52-33-17-15-31-49(52)51-41-43(37-38-56(51)61)62-55-36-20-16-32-50(55)59-57(62)39-40-58(63-53-34-18-13-29-47(53)48-30-14-19-35-54(48)63)60(59)64(44-23-7-2-8-24-44,45-25-9-3-10-26-45)46-27-11-4-12-28-46/h1-41H.
What are the key properties of [3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane?
[3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane has a molecular weight of 832.10 g/mol, XLogP of 12.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-4-yl]-triphenylsilane is sourced from PubChem (CID 170515408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).