[6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-triphenylsilane

C60H45NO2P2Si — CID 87159557

IUPAC[6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-triphenylsilane
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-n2c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3cc(P(=O)(c4ccccc4)c4ccccc4)ccc32)cc1
InChIInChI=1S/C60H45NO2P2Si/c62-64(47-22-8-1-9-23-47,48-24-10-2-11-25-48)51-38-36-46(37-39-51)61-59-42-40-52(65(63,49-26-12-3-13-27-49)50-28-14-4-15-29-50)44-57(59)58-45-56(41-43-60(58)61)66(53-30-16-5-17-31-53,54-32-18-6-19-33-54)55-34-20-7-21-35-55/h1-45H
InChIKeyJJPCMFSQCJVWQT-UHFFFAOYSA-N
MW902.06 g/mol
LogP9.44
Rot. Bonds11

About [6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-triphenylsilane

[6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-triphenylsilane (PubChem CID 87159557) has the molecular formula C60H45NO2P2Si and a molecular weight of 902.06 g/mol. Its IUPAC name is [6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-triphenylsilane.

Molecular Properties

Compound Name[6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-triphenylsilane
PubChem CID87159557
Molecular FormulaC60H45NO2P2Si
Molecular Weight902.06 g/mol
Exact Mass901.27
IUPAC Name[6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-triphenylsilane
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc(-n2c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3cc(P(=O)(c4ccccc4)c4ccccc4)ccc32)cc1
InChIInChI=1S/C60H45NO2P2Si/c62-64(47-22-8-1-9-23-47,48-24-10-2-11-25-48)51-38-36-46(37-39-51)61-59-42-40-52(65(63,49-26-12-3-13-27-49)50-28-14-4-15-29-50)44-57(59)58-45-56(41-43-60(58)61)66(53-30-16-5-17-31-53,54-32-18-6-19-33-54)55-34-20-7-21-35-55/h1-45H
InChIKeyJJPCMFSQCJVWQT-UHFFFAOYSA-N
XLogP9.44
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500902.06
LogP ≤ 59.44
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]-tris(4-methylphenyl)silane
CID 87159620
diphenyl-(9-phenylcarbazol-3-yl)-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]silane
CID 89393751
(4-methoxyphenyl)-[9-(4-methoxyphenyl)-6-[(4-methoxyphenyl)-diphenylsilyl]carbazol-3-yl]-diphenylsilane
CID 59469948
[9-(4-methylphenyl)carbazol-3-yl]-triphenylsilane
CID 168811108
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
[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 159773868
[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
[4-(3,6-dibromocarbazol-9-yl)phenyl]-triphenylsilane
CID 58687534
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]-triphenylsilane?
The IUPAC name of [6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-triphenylsilane (CID 87159557) is [6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-triphenylsilane.
What is the SMILES notation for [6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-triphenylsilane?
The canonical SMILES for [6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-triphenylsilane is O=P(c1ccccc1)(c1ccccc1)c1ccc(-n2c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3cc(P(=O)(c4ccccc4)c4ccccc4)ccc32)cc1.
What is the InChIKey of [6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-triphenylsilane?
The InChIKey is JJPCMFSQCJVWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H45NO2P2Si/c62-64(47-22-8-1-9-23-47,48-24-10-2-11-25-48)51-38-36-46(37-39-51)61-59-42-40-52(65(63,49-26-12-3-13-27-49)50-28-14-4-15-29-50)44-57(59)58-45-56(41-43-60(58)61)66(53-30-16-5-17-31-53,54-32-18-6-19-33-54)55-34-20-7-21-35-55/h1-45H.
What are the key properties of [6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-triphenylsilane?
[6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazol-3-yl]-triphenylsilane has a molecular weight of 902.06 g/mol, XLogP of 9.44, 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]-triphenylsilane is sourced from PubChem (CID 87159557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).