9-[3-carbazol-9-yl-4-(4-carbazol-9-yl-2-diphenylphosphorylphenoxy)phenyl]carbazole

C60H40N3O2P — CID 102198373

IUPAC9-[3-carbazol-9-yl-4-(4-carbazol-9-yl-2-diphenylphosphorylphenoxy)phenyl]carbazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1cc(-n2c3ccccc3c3ccccc32)ccc1Oc1ccc(-n2c3ccccc3c3ccccc32)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C60H40N3O2P/c64-66(43-19-3-1-4-20-43,44-21-5-2-6-22-44)60-40-42(62-53-31-15-9-25-47(53)48-26-10-16-32-54(48)62)36-38-59(60)65-58-37-35-41(61-51-29-13-7-23-45(51)46-24-8-14-30-52(46)61)39-57(58)63-55-33-17-11-27-49(55)50-28-12-18-34-56(50)63/h1-40H
InChIKeyDWAIGOFIXVXKBV-UHFFFAOYSA-N
MW865.97 g/mol
LogP14.41
Rot. Bonds8

About 9-[3-carbazol-9-yl-4-(4-carbazol-9-yl-2-diphenylphosphorylphenoxy)phenyl]carbazole

9-[3-carbazol-9-yl-4-(4-carbazol-9-yl-2-diphenylphosphorylphenoxy)phenyl]carbazole (PubChem CID 102198373) has the molecular formula C60H40N3O2P and a molecular weight of 865.97 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-4-(4-carbazol-9-yl-2-diphenylphosphorylphenoxy)phenyl]carbazole.

Molecular Properties

Compound Name9-[3-carbazol-9-yl-4-(4-carbazol-9-yl-2-diphenylphosphorylphenoxy)phenyl]carbazole
PubChem CID102198373
Molecular FormulaC60H40N3O2P
Molecular Weight865.97 g/mol
Exact Mass865.29
IUPAC Name9-[3-carbazol-9-yl-4-(4-carbazol-9-yl-2-diphenylphosphorylphenoxy)phenyl]carbazole
SMILESO=P(c1ccccc1)(c1ccccc1)c1cc(-n2c3ccccc3c3ccccc32)ccc1Oc1ccc(-n2c3ccccc3c3ccccc32)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C60H40N3O2P/c64-66(43-19-3-1-4-20-43,44-21-5-2-6-22-44)60-40-42(62-53-31-15-9-25-47(53)48-26-10-16-32-54(48)62)36-38-59(60)65-58-37-35-41(61-51-29-13-7-23-45(51)46-24-8-14-30-52(46)61)39-57(58)63-55-33-17-11-27-49(55)50-28-12-18-34-56(50)63/h1-40H
InChIKeyDWAIGOFIXVXKBV-UHFFFAOYSA-N
XLogP14.41
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.97
LogP ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[2,4-bis(diphenylphosphoryl)phenoxy]-2,4-bis(diphenylphosphoryl)benzene
CID 132556763
3-[phenanthren-9-yl(phenyl)phosphoryl]-9-phenylcarbazole
CID 87159646
9-[4-[(4-carbazol-9-ylphenyl)-phenylphosphoryl]phenyl]carbazole;9-(8-diphenylphosphoryldibenzofuran-2-yl)carbazole;3-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole
CID 159051293
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;ethane
CID 144799075
9-[4-[9-[4-[4-(2-diphenylphosphorylphenoxy)phenyl]phenyl]fluoren-9-yl]phenyl]carbazole
CID 122387903
9-(4-methoxy-3-phenoxyphenyl)carbazole
CID 163549151
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3-[4-[[4-(3-carbazol-9-ylphenyl)phenyl]-phenylphosphoryl]phenyl]-9-phenylcarbazole;9-phenyl-2-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole;9-phenyl-3-[4-[phenyl-[4-(9-phenylcarbazol-3-yl)phenyl]phosphoryl]phenyl]carbazole
CID 157211543
3-carbazol-9-yl-10-diphenylphosphorylphenoxazine
CID 140928514
9-(9-diphenylphosphoryl-6,6,14,14-tetramethyl-3-tetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaenyl)carbazole
CID 163934503
9-[3-[[2-[[2-[[3-(2-methylpyrimidin-5-yl)phenyl]-phenylphosphoryl]phenyl]methyl]phenyl]-phenylphosphoryl]phenyl]carbazole
CID 135193032

Frequently Asked Questions

What is the IUPAC name of 9-[3-carbazol-9-yl-4-(4-carbazol-9-yl-2-diphenylphosphorylphenoxy)phenyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-4-(4-carbazol-9-yl-2-diphenylphosphorylphenoxy)phenyl]carbazole (CID 102198373) is 9-[3-carbazol-9-yl-4-(4-carbazol-9-yl-2-diphenylphosphorylphenoxy)phenyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-4-(4-carbazol-9-yl-2-diphenylphosphorylphenoxy)phenyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-4-(4-carbazol-9-yl-2-diphenylphosphorylphenoxy)phenyl]carbazole is O=P(c1ccccc1)(c1ccccc1)c1cc(-n2c3ccccc3c3ccccc32)ccc1Oc1ccc(-n2c3ccccc3c3ccccc32)cc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 9-[3-carbazol-9-yl-4-(4-carbazol-9-yl-2-diphenylphosphorylphenoxy)phenyl]carbazole?
The InChIKey is DWAIGOFIXVXKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N3O2P/c64-66(43-19-3-1-4-20-43,44-21-5-2-6-22-44)60-40-42(62-53-31-15-9-25-47(53)48-26-10-16-32-54(48)62)36-38-59(60)65-58-37-35-41(61-51-29-13-7-23-45(51)46-24-8-14-30-52(46)61)39-57(58)63-55-33-17-11-27-49(55)50-28-12-18-34-56(50)63/h1-40H.
What are the key properties of 9-[3-carbazol-9-yl-4-(4-carbazol-9-yl-2-diphenylphosphorylphenoxy)phenyl]carbazole?
9-[3-carbazol-9-yl-4-(4-carbazol-9-yl-2-diphenylphosphorylphenoxy)phenyl]carbazole has a molecular weight of 865.97 g/mol, XLogP of 14.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-4-(4-carbazol-9-yl-2-diphenylphosphorylphenoxy)phenyl]carbazole is sourced from PubChem (CID 102198373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).