[3-[4,6-bis(3-phenylcarbazol-9-yl)-2-pyridinyl]phenyl]-triphenylsilane

C65H45N3Si — CID 168780371

IUPAC[3-[4,6-bis(3-phenylcarbazol-9-yl)-2-pyridinyl]phenyl]-triphenylsilane
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C65H45N3Si/c1-6-21-46(22-7-1)48-37-39-63-58(42-48)56-33-16-18-35-61(56)67(63)51-44-60(66-65(45-51)68-62-36-19-17-34-57(62)59-43-49(38-40-64(59)68)47-23-8-2-9-24-47)50-25-20-32-55(41-50)69(52-26-10-3-11-27-52,53-28-12-4-13-29-53)54-30-14-5-15-31-54/h1-45H
InChIKeyLVAMQGKKHCKESV-UHFFFAOYSA-N
MW896.18 g/mol
LogP13.65
Rot. Bonds9

About [3-[4,6-bis(3-phenylcarbazol-9-yl)-2-pyridinyl]phenyl]-triphenylsilane

[3-[4,6-bis(3-phenylcarbazol-9-yl)-2-pyridinyl]phenyl]-triphenylsilane (PubChem CID 168780371) has the molecular formula C65H45N3Si and a molecular weight of 896.18 g/mol. Its IUPAC name is [3-[4,6-bis(3-phenylcarbazol-9-yl)-2-pyridinyl]phenyl]-triphenylsilane.

Molecular Properties

Compound Name[3-[4,6-bis(3-phenylcarbazol-9-yl)-2-pyridinyl]phenyl]-triphenylsilane
PubChem CID168780371
Molecular FormulaC65H45N3Si
Molecular Weight896.18 g/mol
Exact Mass895.34
IUPAC Name[3-[4,6-bis(3-phenylcarbazol-9-yl)-2-pyridinyl]phenyl]-triphenylsilane
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C65H45N3Si/c1-6-21-46(22-7-1)48-37-39-63-58(42-48)56-33-16-18-35-61(56)67(63)51-44-60(66-65(45-51)68-62-36-19-17-34-57(62)59-43-49(38-40-64(59)68)47-23-8-2-9-24-47)50-25-20-32-55(41-50)69(52-26-10-3-11-27-52,53-28-12-4-13-29-53)54-30-14-5-15-31-54/h1-45H
InChIKeyLVAMQGKKHCKESV-UHFFFAOYSA-N
XLogP13.65
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.18
LogP ≤ 513.65
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

triphenyl-[3-[4-(3-phenylcarbazol-9-yl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]silane
CID 168780527
[3-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]phenyl]-diphenyl-(3-phenylphenyl)silane
CID 168836396
triphenyl-[3-[3-[3-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)carbazol-9-yl]phenyl]phenyl]silane
CID 166589020
[3-[4-[3-carbazol-9-yl-5-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]phenyl]-triphenylsilane
CID 176785025
triphenyl-[3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazol-9-yl]phenyl]phenyl]silane
CID 140782755
[3-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 90773884
[3-[3-carbazol-9-yl-5-[2-(3-phenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-phenyl-bis(3-phenylphenyl)silane
CID 176784997
9-[6-[4-carbazol-9-yl-6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-3-phenylcarbazole
CID 165167529
[9-[2-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-4-pyridinyl]carbazol-3-yl]-triphenylsilane
CID 169052984
triphenyl-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]silane
CID 147032702
triphenyl-[9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-3-yl]silane
CID 140790437
[3-[3-carbazol-9-yl-5-[2-(3,6-diphenylcarbazol-9-yl)carbazol-9-yl]phenyl]phenyl]-(3,5-diphenylphenyl)-diphenylsilane
CID 176784938

Frequently Asked Questions

What is the IUPAC name of [3-[4,6-bis(3-phenylcarbazol-9-yl)-2-pyridinyl]phenyl]-triphenylsilane?
The IUPAC name of [3-[4,6-bis(3-phenylcarbazol-9-yl)-2-pyridinyl]phenyl]-triphenylsilane (CID 168780371) is [3-[4,6-bis(3-phenylcarbazol-9-yl)-2-pyridinyl]phenyl]-triphenylsilane.
What is the SMILES notation for [3-[4,6-bis(3-phenylcarbazol-9-yl)-2-pyridinyl]phenyl]-triphenylsilane?
The canonical SMILES for [3-[4,6-bis(3-phenylcarbazol-9-yl)-2-pyridinyl]phenyl]-triphenylsilane is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)c3)nc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c2)cc1.
What is the InChIKey of [3-[4,6-bis(3-phenylcarbazol-9-yl)-2-pyridinyl]phenyl]-triphenylsilane?
The InChIKey is LVAMQGKKHCKESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H45N3Si/c1-6-21-46(22-7-1)48-37-39-63-58(42-48)56-33-16-18-35-61(56)67(63)51-44-60(66-65(45-51)68-62-36-19-17-34-57(62)59-43-49(38-40-64(59)68)47-23-8-2-9-24-47)50-25-20-32-55(41-50)69(52-26-10-3-11-27-52,53-28-12-4-13-29-53)54-30-14-5-15-31-54/h1-45H.
What are the key properties of [3-[4,6-bis(3-phenylcarbazol-9-yl)-2-pyridinyl]phenyl]-triphenylsilane?
[3-[4,6-bis(3-phenylcarbazol-9-yl)-2-pyridinyl]phenyl]-triphenylsilane has a molecular weight of 896.18 g/mol, XLogP of 13.65, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4,6-bis(3-phenylcarbazol-9-yl)-2-pyridinyl]phenyl]-triphenylsilane is sourced from PubChem (CID 168780371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).