3-(9-phenylcarbazol-2-yl)oxy-5-pyridin-2-ylbenzo[b]phosphindole 5-oxide

C35H23N2O2P — CID 140680684

IUPAC3-(9-phenylcarbazol-2-yl)oxy-5-pyridin-2-ylbenzo[b]phosphindole 5-oxide
SMILESO=P1(c2ccccn2)c2ccccc2-c2ccc(Oc3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21
InChIInChI=1S/C35H23N2O2P/c38-40(35-16-8-9-21-36-35)33-15-7-5-13-29(33)30-20-18-26(23-34(30)40)39-25-17-19-28-27-12-4-6-14-31(27)37(32(28)22-25)24-10-2-1-3-11-24/h1-23H
InChIKeyHOKGVRUUBNNLKE-UHFFFAOYSA-N
MW534.56 g/mol
LogP7.59
Rot. Bonds4

About 3-(9-phenylcarbazol-2-yl)oxy-5-pyridin-2-ylbenzo[b]phosphindole 5-oxide

3-(9-phenylcarbazol-2-yl)oxy-5-pyridin-2-ylbenzo[b]phosphindole 5-oxide (PubChem CID 140680684) has the molecular formula C35H23N2O2P and a molecular weight of 534.56 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-2-yl)oxy-5-pyridin-2-ylbenzo[b]phosphindole 5-oxide.

Molecular Properties

Compound Name3-(9-phenylcarbazol-2-yl)oxy-5-pyridin-2-ylbenzo[b]phosphindole 5-oxide
PubChem CID140680684
Molecular FormulaC35H23N2O2P
Molecular Weight534.56 g/mol
Exact Mass534.15
IUPAC Name3-(9-phenylcarbazol-2-yl)oxy-5-pyridin-2-ylbenzo[b]phosphindole 5-oxide
SMILESO=P1(c2ccccn2)c2ccccc2-c2ccc(Oc3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21
InChIInChI=1S/C35H23N2O2P/c38-40(35-16-8-9-21-36-35)33-15-7-5-13-29(33)30-20-18-26(23-34(30)40)39-25-17-19-28-27-12-4-6-14-31(27)37(32(28)22-25)24-10-2-1-3-11-24/h1-23H
InChIKeyHOKGVRUUBNNLKE-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

9-[3-(3-carbazol-9-ylphenoxy)phenyl]phosphindolo[2,3-b]pyridine 9-oxide
CID 140680912
5-[3-(3-carbazol-9-ylphenoxy)phenyl]benzo[b]phosphindole 5-oxide
CID 140680733
5,7-bis(9-phenylcarbazol-3-yl)phosphindolo[2,3-b]carbazole 7-oxide
CID 89472173
12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide
CID 121310614
16-phenyl-9-[(16-phenyl-2,5,16-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaen-9-yl)oxy]-2,5,16-triazahexacyclo[11.11.0.02,6.07,12.015,23.017,22]tetracosa-1(13),3,5,7(12),8,10,14,17,19,21,23-undecaene
CID 162487214
12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide
CID 121310510
11-phenyl-5-(4-quinolin-7-ylphenyl)phosphindolo[3,2-b]carbazole 11-oxide
CID 121310222
2-[3-(3-phenyl-2H-imidazol-1-yl)phenoxy]-9-pyridin-2-ylcarbazole
CID 160515373
11-phenyl-5-quinolin-8-ylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310218
2-(3-pyrazol-1-ylphenoxy)-9-pyridin-2-ylcarbazole
CID 140794986
2-[[5-(3-phenyl-2H-imidazol-1-yl)-3-pyridinyl]oxy]-9-pyrimidin-2-ylcarbazole
CID 161093369
3-[3-(1-methylbenzimidazol-2-yl)phenoxy]-11-phenyl-5-pyridin-2-ylindolo[3,2-b]carbazole
CID 140954841

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-2-yl)oxy-5-pyridin-2-ylbenzo[b]phosphindole 5-oxide?
The IUPAC name of 3-(9-phenylcarbazol-2-yl)oxy-5-pyridin-2-ylbenzo[b]phosphindole 5-oxide (CID 140680684) is 3-(9-phenylcarbazol-2-yl)oxy-5-pyridin-2-ylbenzo[b]phosphindole 5-oxide.
What is the SMILES notation for 3-(9-phenylcarbazol-2-yl)oxy-5-pyridin-2-ylbenzo[b]phosphindole 5-oxide?
The canonical SMILES for 3-(9-phenylcarbazol-2-yl)oxy-5-pyridin-2-ylbenzo[b]phosphindole 5-oxide is O=P1(c2ccccn2)c2ccccc2-c2ccc(Oc3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc21.
What is the InChIKey of 3-(9-phenylcarbazol-2-yl)oxy-5-pyridin-2-ylbenzo[b]phosphindole 5-oxide?
The InChIKey is HOKGVRUUBNNLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N2O2P/c38-40(35-16-8-9-21-36-35)33-15-7-5-13-29(33)30-20-18-26(23-34(30)40)39-25-17-19-28-27-12-4-6-14-31(27)37(32(28)22-25)24-10-2-1-3-11-24/h1-23H.
What are the key properties of 3-(9-phenylcarbazol-2-yl)oxy-5-pyridin-2-ylbenzo[b]phosphindole 5-oxide?
3-(9-phenylcarbazol-2-yl)oxy-5-pyridin-2-ylbenzo[b]phosphindole 5-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 3-(9-phenylcarbazol-2-yl)oxy-5-pyridin-2-ylbenzo[b]phosphindole 5-oxide is sourced from PubChem (CID 140680684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).