5-[3-(3-carbazol-9-ylphenoxy)phenyl]benzo[b]phosphindole 5-oxide

C36H24NO2P — CID 140680733

IUPAC5-[3-(3-carbazol-9-ylphenoxy)phenyl]benzo[b]phosphindole 5-oxide
SMILESO=P1(c2cccc(Oc3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c2ccccc2-c2ccccc21
InChIInChI=1S/C36H24NO2P/c38-40(35-21-7-3-17-31(35)32-18-4-8-22-36(32)40)28-14-10-13-27(24-28)39-26-12-9-11-25(23-26)37-33-19-5-1-15-29(33)30-16-2-6-20-34(30)37/h1-24H
InChIKeyRBBYBNPHJNKJTN-UHFFFAOYSA-N
MW533.57 g/mol
LogP8.20
Rot. Bonds4

About 5-[3-(3-carbazol-9-ylphenoxy)phenyl]benzo[b]phosphindole 5-oxide

5-[3-(3-carbazol-9-ylphenoxy)phenyl]benzo[b]phosphindole 5-oxide (PubChem CID 140680733) has the molecular formula C36H24NO2P and a molecular weight of 533.57 g/mol. Its IUPAC name is 5-[3-(3-carbazol-9-ylphenoxy)phenyl]benzo[b]phosphindole 5-oxide.

Molecular Properties

Compound Name5-[3-(3-carbazol-9-ylphenoxy)phenyl]benzo[b]phosphindole 5-oxide
PubChem CID140680733
Molecular FormulaC36H24NO2P
Molecular Weight533.57 g/mol
Exact Mass533.15
IUPAC Name5-[3-(3-carbazol-9-ylphenoxy)phenyl]benzo[b]phosphindole 5-oxide
SMILESO=P1(c2cccc(Oc3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c2ccccc2-c2ccccc21
InChIInChI=1S/C36H24NO2P/c38-40(35-21-7-3-17-31(35)32-18-4-8-22-36(32)40)28-14-10-13-27(24-28)39-26-12-9-11-25(23-26)37-33-19-5-1-15-29(33)30-16-2-6-20-34(30)37/h1-24H
InChIKeyRBBYBNPHJNKJTN-UHFFFAOYSA-N
XLogP8.20
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.57
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-[3-(3-carbazol-9-ylphenoxy)phenyl]phosphindolo[2,3-b]pyridine 9-oxide
CID 140680912
5,7-bis(9-phenylcarbazol-3-yl)phosphindolo[2,3-b]carbazole 7-oxide
CID 89472173
3-(9-phenylcarbazol-2-yl)oxy-5-pyridin-2-ylbenzo[b]phosphindole 5-oxide
CID 140680684
6-(3-carbazol-9-ylphenyl)-3,9,14-triphenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide
CID 154599609
3-(3-carbazol-9-ylphenyl)-6,14-diphenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide
CID 154599594
12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide
CID 121310614
12-phenyl-11-(3-phenylphenyl)phosphindolo[2,3-a]carbazole 12-oxide
CID 121310386
5,11-diphenylphosphindolo[3,2-b]carbazole 11-oxide;5-naphthalen-1-yl-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;5-naphthalen-2-yl-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;11-phenyl-5-(2-phenylphenyl)phosphindolo[3,2-b]carbazole 11-oxide
CID 158937555
6,14-bis[3-([1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide
CID 154599591
3-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 121310641
9-(3-carbazol-9-ylphenyl)carbazole;methane
CID 157215827
12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide
CID 121310510

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-carbazol-9-ylphenoxy)phenyl]benzo[b]phosphindole 5-oxide?
The IUPAC name of 5-[3-(3-carbazol-9-ylphenoxy)phenyl]benzo[b]phosphindole 5-oxide (CID 140680733) is 5-[3-(3-carbazol-9-ylphenoxy)phenyl]benzo[b]phosphindole 5-oxide.
What is the SMILES notation for 5-[3-(3-carbazol-9-ylphenoxy)phenyl]benzo[b]phosphindole 5-oxide?
The canonical SMILES for 5-[3-(3-carbazol-9-ylphenoxy)phenyl]benzo[b]phosphindole 5-oxide is O=P1(c2cccc(Oc3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c2ccccc2-c2ccccc21.
What is the InChIKey of 5-[3-(3-carbazol-9-ylphenoxy)phenyl]benzo[b]phosphindole 5-oxide?
The InChIKey is RBBYBNPHJNKJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24NO2P/c38-40(35-21-7-3-17-31(35)32-18-4-8-22-36(32)40)28-14-10-13-27(24-28)39-26-12-9-11-25(23-26)37-33-19-5-1-15-29(33)30-16-2-6-20-34(30)37/h1-24H.
What are the key properties of 5-[3-(3-carbazol-9-ylphenoxy)phenyl]benzo[b]phosphindole 5-oxide?
5-[3-(3-carbazol-9-ylphenoxy)phenyl]benzo[b]phosphindole 5-oxide has a molecular weight of 533.57 g/mol, XLogP of 8.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-carbazol-9-ylphenoxy)phenyl]benzo[b]phosphindole 5-oxide is sourced from PubChem (CID 140680733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).