[1-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-2-yl]-triphenylsilane

C66H45N3Si — CID 170515475

IUPAC[1-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-2-yl]-triphenylsilane
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c(-n7c8ccccc8c8ccccc87)c65)c43)cc2)cc1
InChIInChI=1S/C66H45N3Si/c1-5-22-46(23-6-1)47-40-42-48(43-41-47)67-58-35-17-15-32-54(58)56-34-21-39-62(64(56)67)69-61-38-20-16-33-55(61)57-44-45-63(66(65(57)69)68-59-36-18-13-30-52(59)53-31-14-19-37-60(53)68)70(49-24-7-2-8-25-49,50-26-9-3-10-27-50)51-28-11-4-12-29-51/h1-45H
InChIKeyRQXKKCJUIDMEKC-UHFFFAOYSA-N
MW908.19 g/mol
LogP14.02
Rot. Bonds8

About [1-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-2-yl]-triphenylsilane

[1-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-2-yl]-triphenylsilane (PubChem CID 170515475) has the molecular formula C66H45N3Si and a molecular weight of 908.19 g/mol. Its IUPAC name is [1-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-2-yl]-triphenylsilane.

Molecular Properties

Compound Name[1-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-2-yl]-triphenylsilane
PubChem CID170515475
Molecular FormulaC66H45N3Si
Molecular Weight908.19 g/mol
Exact Mass907.34
IUPAC Name[1-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-2-yl]-triphenylsilane
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c(-n7c8ccccc8c8ccccc87)c65)c43)cc2)cc1
InChIInChI=1S/C66H45N3Si/c1-5-22-46(23-6-1)47-40-42-48(43-41-47)67-58-35-17-15-32-54(58)56-34-21-39-62(64(56)67)69-61-38-20-16-33-55(61)57-44-45-63(66(65(57)69)68-59-36-18-13-30-52(59)53-31-14-19-37-60(53)68)70(49-24-7-2-8-25-49,50-26-9-3-10-27-50)51-28-11-4-12-29-51/h1-45H
InChIKeyRQXKKCJUIDMEKC-UHFFFAOYSA-N
XLogP14.02
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500908.19
LogP ≤ 514.02
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

[1-carbazol-9-yl-9-[9-(2-phenylphenyl)carbazol-2-yl]carbazol-2-yl]-triphenylsilane
CID 170514979
[9-[8-carbazol-9-yl-9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]-triphenylsilane
CID 170515914
triphenyl-[7-phenyl-9-(9-phenylcarbazol-1-yl)carbazol-1-yl]silane
CID 170515238
triphenyl-[7-phenyl-9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]silane
CID 170515100
triphenyl-[7-phenyl-9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-2-yl]silane
CID 170515983
triphenyl-[9-[5-phenyl-9-(4-phenylphenyl)carbazol-1-yl]carbazol-1-yl]silane
CID 170515929
triphenyl-[4-[2-[1-(2-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588219
[8-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-2-yl]carbazol-4-yl]-triphenylsilane
CID 170516471
triphenyl-[4-[1-[3-(2-phenylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]phenyl]silane
CID 166588416
[8-carbazol-9-yl-9-[9-(3-phenylphenyl)carbazol-2-yl]carbazol-1-yl]-triphenylsilane
CID 170515630
diphenyl-(9-phenylcarbazol-3-yl)-[9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-4-yl]silane
CID 171458283
triphenyl-[9-[7-phenyl-9-(3-phenylphenyl)carbazol-1-yl]carbazol-4-yl]silane
CID 170516222

Frequently Asked Questions

What is the IUPAC name of [1-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-2-yl]-triphenylsilane?
The IUPAC name of [1-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-2-yl]-triphenylsilane (CID 170515475) is [1-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-2-yl]-triphenylsilane.
What is the SMILES notation for [1-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-2-yl]-triphenylsilane?
The canonical SMILES for [1-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-2-yl]-triphenylsilane is c1ccc(-c2ccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccc([Si](c7ccccc7)(c7ccccc7)c7ccccc7)c(-n7c8ccccc8c8ccccc87)c65)c43)cc2)cc1.
What is the InChIKey of [1-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-2-yl]-triphenylsilane?
The InChIKey is RQXKKCJUIDMEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3Si/c1-5-22-46(23-6-1)47-40-42-48(43-41-47)67-58-35-17-15-32-54(58)56-34-21-39-62(64(56)67)69-61-38-20-16-33-55(61)57-44-45-63(66(65(57)69)68-59-36-18-13-30-52(59)53-31-14-19-37-60(53)68)70(49-24-7-2-8-25-49,50-26-9-3-10-27-50)51-28-11-4-12-29-51/h1-45H.
What are the key properties of [1-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-2-yl]-triphenylsilane?
[1-carbazol-9-yl-9-[9-(4-phenylphenyl)carbazol-1-yl]carbazol-2-yl]-triphenylsilane has a molecular weight of 908.19 g/mol, XLogP of 14.02, 8 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-(4-phenylphenyl)carbazol-1-yl]carbazol-2-yl]-triphenylsilane is sourced from PubChem (CID 170515475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).