9-[3-(3-carbazol-9-ylphenoxy)phenyl]phosphindolo[2,3-b]pyridine 9-oxide

C35H23N2O2P — CID 140680912

IUPAC9-[3-(3-carbazol-9-ylphenoxy)phenyl]phosphindolo[2,3-b]pyridine 9-oxide
SMILESO=P1(c2cccc(Oc3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c2ccccc2-c2cccnc21
InChIInChI=1S/C35H23N2O2P/c38-40(34-20-6-3-16-30(34)31-17-9-21-36-35(31)40)27-13-8-12-26(23-27)39-25-11-7-10-24(22-25)37-32-18-4-1-14-28(32)29-15-2-5-19-33(29)37/h1-23H
InChIKeyHSBABOUQSHXVLL-UHFFFAOYSA-N
MW534.56 g/mol
LogP7.59
Rot. Bonds4

About 9-[3-(3-carbazol-9-ylphenoxy)phenyl]phosphindolo[2,3-b]pyridine 9-oxide

9-[3-(3-carbazol-9-ylphenoxy)phenyl]phosphindolo[2,3-b]pyridine 9-oxide (PubChem CID 140680912) has the molecular formula C35H23N2O2P and a molecular weight of 534.56 g/mol. Its IUPAC name is 9-[3-(3-carbazol-9-ylphenoxy)phenyl]phosphindolo[2,3-b]pyridine 9-oxide.

Molecular Properties

Compound Name9-[3-(3-carbazol-9-ylphenoxy)phenyl]phosphindolo[2,3-b]pyridine 9-oxide
PubChem CID140680912
Molecular FormulaC35H23N2O2P
Molecular Weight534.56 g/mol
Exact Mass534.15
IUPAC Name9-[3-(3-carbazol-9-ylphenoxy)phenyl]phosphindolo[2,3-b]pyridine 9-oxide
SMILESO=P1(c2cccc(Oc3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c2ccccc2-c2cccnc21
InChIInChI=1S/C35H23N2O2P/c38-40(34-20-6-3-16-30(34)31-17-9-21-36-35(31)40)27-13-8-12-26(23-27)39-25-11-7-10-24(22-25)37-32-18-4-1-14-28(32)29-15-2-5-19-33(29)37/h1-23H
InChIKeyHSBABOUQSHXVLL-UHFFFAOYSA-N
XLogP7.59
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.56
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(3-carbazol-9-ylphenoxy)phenyl]benzo[b]phosphindole 5-oxide
CID 140680733
3-(9-phenylcarbazol-2-yl)oxy-5-pyridin-2-ylbenzo[b]phosphindole 5-oxide
CID 140680684
9-[9-(3-pyridin-2-yloxyphenyl)carbazol-2-yl]pyrido[2,3-b]indole
CID 140680930
5,7-bis(9-phenylcarbazol-3-yl)phosphindolo[2,3-b]carbazole 7-oxide
CID 89472173
11-phenyl-5-quinolin-8-ylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310218
9-[3-[3-[2-(3-carbazol-9-ylphenyl)-3-pyridinyl]-2-pyridinyl]phenyl]carbazole
CID 122433877
11-phenyl-5-(4-quinolin-7-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide
CID 121310222
5-[3-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide;5-[3,5-di(carbazol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide;5-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-10-phenylphenophosphazinine 10-oxide;10-phenyl-5-(3-pyrido[4,3-b]indol-5-ylphenyl)phenophosphazinine 10-oxide
CID 158918939
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-[3,5-bis(pyrido[2,3-b]indol-9-yl)phenyl]-10-phenylphenophosphazinine 10-oxide
CID 130260288
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

Frequently Asked Questions

What is the IUPAC name of 9-[3-(3-carbazol-9-ylphenoxy)phenyl]phosphindolo[2,3-b]pyridine 9-oxide?
The IUPAC name of 9-[3-(3-carbazol-9-ylphenoxy)phenyl]phosphindolo[2,3-b]pyridine 9-oxide (CID 140680912) is 9-[3-(3-carbazol-9-ylphenoxy)phenyl]phosphindolo[2,3-b]pyridine 9-oxide.
What is the SMILES notation for 9-[3-(3-carbazol-9-ylphenoxy)phenyl]phosphindolo[2,3-b]pyridine 9-oxide?
The canonical SMILES for 9-[3-(3-carbazol-9-ylphenoxy)phenyl]phosphindolo[2,3-b]pyridine 9-oxide is O=P1(c2cccc(Oc3cccc(-n4c5ccccc5c5ccccc54)c3)c2)c2ccccc2-c2cccnc21.
What is the InChIKey of 9-[3-(3-carbazol-9-ylphenoxy)phenyl]phosphindolo[2,3-b]pyridine 9-oxide?
The InChIKey is HSBABOUQSHXVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N2O2P/c38-40(34-20-6-3-16-30(34)31-17-9-21-36-35(31)40)27-13-8-12-26(23-27)39-25-11-7-10-24(22-25)37-32-18-4-1-14-28(32)29-15-2-5-19-33(29)37/h1-23H.
What are the key properties of 9-[3-(3-carbazol-9-ylphenoxy)phenyl]phosphindolo[2,3-b]pyridine 9-oxide?
9-[3-(3-carbazol-9-ylphenoxy)phenyl]phosphindolo[2,3-b]pyridine 9-oxide has a molecular weight of 534.56 g/mol, XLogP of 7.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(3-carbazol-9-ylphenoxy)phenyl]phosphindolo[2,3-b]pyridine 9-oxide is sourced from PubChem (CID 140680912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).