[1-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane

C60H41N3Si — CID 170516355

IUPAC[1-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane
SMILESc1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc(-n6c7ccccc7c7ccccc76)c54)cc32)cc1
InChIInChI=1S/C60H41N3Si/c1-5-21-42(22-6-1)61-54-33-17-13-31-50(54)52-38-37-43(39-58(52)61)62-55-34-18-16-32-51(55)53-40-47(41-59(60(53)62)63-56-35-19-14-29-48(56)49-30-15-20-36-57(49)63)64(44-23-7-2-8-24-44,45-25-9-3-10-26-45)46-27-11-4-12-28-46/h1-41H
InChIKeyAPVXWANXVDDUDE-UHFFFAOYSA-N
MW832.10 g/mol
LogP12.36
Rot. Bonds7

About [1-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane

[1-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane (PubChem CID 170516355) has the molecular formula C60H41N3Si and a molecular weight of 832.10 g/mol. Its IUPAC name is [1-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane.

Molecular Properties

Compound Name[1-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane
PubChem CID170516355
Molecular FormulaC60H41N3Si
Molecular Weight832.10 g/mol
Exact Mass831.31
IUPAC Name[1-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane
SMILESc1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc(-n6c7ccccc7c7ccccc76)c54)cc32)cc1
InChIInChI=1S/C60H41N3Si/c1-5-21-42(22-6-1)61-54-33-17-13-31-50(54)52-38-37-43(39-58(52)61)62-55-34-18-16-32-51(55)53-40-47(41-59(60(53)62)63-56-35-19-14-29-48(56)49-30-15-20-36-57(49)63)64(44-23-7-2-8-24-44,45-25-9-3-10-26-45)46-27-11-4-12-28-46/h1-41H
InChIKeyAPVXWANXVDDUDE-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

[8-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane
CID 170516287
[8-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-triphenylsilane
CID 170516283
[7-carbazol-9-yl-9-(9-phenylcarbazol-1-yl)carbazol-2-yl]-triphenylsilane
CID 170515020
triphenyl-[4-[2-[1-(2-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588219
triphenyl-[9-(9-phenylcarbazol-1-yl)carbazol-2-yl]silane
CID 170515043
triphenyl-[4-[2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166589115
[2-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane
CID 170516488
[7-carbazol-9-yl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-triphenylsilane
CID 170516315
triphenyl-[3-[3-[1-(3-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588869
triphenyl-[3-[2-[2-(2-triphenylsilylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588700
[4-[2-(4-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588500
triphenyl-[3-phenyl-9-(9-phenylcarbazol-2-yl)carbazol-1-yl]silane
CID 170516450

Frequently Asked Questions

What is the IUPAC name of [1-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane?
The IUPAC name of [1-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane (CID 170516355) is [1-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane.
What is the SMILES notation for [1-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane?
The canonical SMILES for [1-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane is c1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc(-n6c7ccccc7c7ccccc76)c54)cc32)cc1.
What is the InChIKey of [1-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane?
The InChIKey is APVXWANXVDDUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N3Si/c1-5-21-42(22-6-1)61-54-33-17-13-31-50(54)52-38-37-43(39-58(52)61)62-55-34-18-16-32-51(55)53-40-47(41-59(60(53)62)63-56-35-19-14-29-48(56)49-30-15-20-36-57(49)63)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 [1-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane?
[1-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-3-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 [1-carbazol-9-yl-9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-triphenylsilane is sourced from PubChem (CID 170516355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).