[6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-tris(4-methylphenyl)silane

C63H51NO2P2Si — CID 87159620

IUPAC[6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-tris(4-methylphenyl)silane
SMILESCc1ccc([Si](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc3c(c2)c2cc(P(=O)(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C63H51NO2P2Si/c1-46-24-35-56(36-25-46)69(57-37-26-47(2)27-38-57,58-39-28-48(3)29-40-58)59-41-43-63-61(45-59)60-44-55(68(66,52-20-12-6-13-21-52)53-22-14-7-15-23-53)34-42-62(60)64(63)49-30-32-54(33-31-49)67(65,50-16-8-4-9-17-50)51-18-10-5-11-19-51/h4-45H,1-3H3
InChIKeySFWQCLXPNBXBTL-UHFFFAOYSA-N
MW944.14 g/mol
LogP10.37
Rot. Bonds11

About [6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-tris(4-methylphenyl)silane

[6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-tris(4-methylphenyl)silane (PubChem CID 87159620) has the molecular formula C63H51NO2P2Si and a molecular weight of 944.14 g/mol. Its IUPAC name is [6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-tris(4-methylphenyl)silane.

Molecular Properties

Compound Name[6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-tris(4-methylphenyl)silane
PubChem CID87159620
Molecular FormulaC63H51NO2P2Si
Molecular Weight944.14 g/mol
Exact Mass943.32
IUPAC Name[6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-tris(4-methylphenyl)silane
SMILESCc1ccc([Si](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc3c(c2)c2cc(P(=O)(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C63H51NO2P2Si/c1-46-24-35-56(36-25-46)69(57-37-26-47(2)27-38-57,58-39-28-48(3)29-40-58)59-41-43-63-61(45-59)60-44-55(68(66,52-20-12-6-13-21-52)53-22-14-7-15-23-53)34-42-62(60)64(63)49-30-32-54(33-31-49)67(65,50-16-8-4-9-17-50)51-18-10-5-11-19-51/h4-45H,1-3H3
InChIKeySFWQCLXPNBXBTL-UHFFFAOYSA-N
XLogP10.37
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500944.14
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-triphenylsilane
CID 87159557
[9-(4-methylphenyl)carbazol-3-yl]-triphenylsilane
CID 168811108
(4-methylphenyl)-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 158052706
3-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)-6-(4-phenylphenyl)sulfanylcarbazole
CID 87159597
3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole
CID 87159603
[9-[7-carbazol-9-yl-9-(4-phenylphenyl)carbazol-2-yl]carbazol-3-yl]-triphenylsilane
CID 170515024
9-[4-[(4-carbazol-9-ylphenyl)-phenylphosphoryl]phenyl]carbazole;9-(8-diphenylphosphoryldibenzofuran-2-yl)carbazole;3-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole
CID 159051293
[9-[4-[(E)-2-[4-(3-methylcarbazol-9-yl)phenyl]ethenyl]phenyl]carbazol-3-yl]-triphenylsilane
CID 159127596
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
9-(4-fluorophenyl)-N,N-bis(4-methylphenyl)-6-triphenylsilylcarbazol-3-amine
CID 59720504
triphenyl-[9-phenyl-6-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-3-yl]silane
CID 140790437
[9-(4-tert-butylphenyl)-6-triphenylsilylcarbazol-3-yl]-triphenylsilane;4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;9-(3-carbazol-9-ylphenyl)carbazole;(4-diphenylphosphorylphenyl)-triphenylsilane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 158486626

Frequently Asked Questions

What is the IUPAC name of [6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-tris(4-methylphenyl)silane?
The IUPAC name of [6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-tris(4-methylphenyl)silane (CID 87159620) is [6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-tris(4-methylphenyl)silane.
What is the SMILES notation for [6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-tris(4-methylphenyl)silane?
The canonical SMILES for [6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-tris(4-methylphenyl)silane is Cc1ccc([Si](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc3c(c2)c2cc(P(=O)(c4ccccc4)c4ccccc4)ccc2n3-c2ccc(P(=O)(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of [6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-tris(4-methylphenyl)silane?
The InChIKey is SFWQCLXPNBXBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H51NO2P2Si/c1-46-24-35-56(36-25-46)69(57-37-26-47(2)27-38-57,58-39-28-48(3)29-40-58)59-41-43-63-61(45-59)60-44-55(68(66,52-20-12-6-13-21-52)53-22-14-7-15-23-53)34-42-62(60)64(63)49-30-32-54(33-31-49)67(65,50-16-8-4-9-17-50)51-18-10-5-11-19-51/h4-45H,1-3H3.
What are the key properties of [6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-tris(4-methylphenyl)silane?
[6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-tris(4-methylphenyl)silane has a molecular weight of 944.14 g/mol, XLogP of 10.37, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-tris(4-methylphenyl)silane is sourced from PubChem (CID 87159620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).