1,2,3-triphenyl-5-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,2λ5-benzodiazaphosphole 2-oxide

C54H36N3O2P — CID 134536016

IUPAC1,2,3-triphenyl-5-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,2λ5-benzodiazaphosphole 2-oxide
SMILESO=P1(c2ccccc2)N(c2ccccc2)c2ccc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)cc2N1c1ccccc1
InChIInChI=1S/C54H36N3O2P/c58-60(43-22-11-4-12-23-43)56(41-18-7-2-8-19-41)50-32-29-39(36-51(50)57(60)42-20-9-3-10-21-42)44-25-15-27-53-54(44)47-35-38(30-33-52(47)59-53)37-28-31-49-46(34-37)45-24-13-14-26-48(45)55(49)40-16-5-1-6-17-40/h1-36H
InChIKeyJFRHPOXNYWJKOV-UHFFFAOYSA-N
MW789.88 g/mol
LogP14.83
Rot. Bonds6

About 1,2,3-triphenyl-5-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,2λ5-benzodiazaphosphole 2-oxide

1,2,3-triphenyl-5-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,2λ5-benzodiazaphosphole 2-oxide (PubChem CID 134536016) has the molecular formula C54H36N3O2P and a molecular weight of 789.88 g/mol. Its IUPAC name is 1,2,3-triphenyl-5-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,2λ5-benzodiazaphosphole 2-oxide.

Molecular Properties

Compound Name1,2,3-triphenyl-5-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,2λ5-benzodiazaphosphole 2-oxide
PubChem CID134536016
Molecular FormulaC54H36N3O2P
Molecular Weight789.88 g/mol
Exact Mass789.25
IUPAC Name1,2,3-triphenyl-5-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,2λ5-benzodiazaphosphole 2-oxide
SMILESO=P1(c2ccccc2)N(c2ccccc2)c2ccc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)cc2N1c1ccccc1
InChIInChI=1S/C54H36N3O2P/c58-60(43-22-11-4-12-23-43)56(41-18-7-2-8-19-41)50-32-29-39(36-51(50)57(60)42-20-9-3-10-21-42)44-25-15-27-53-54(44)47-35-38(30-33-52(47)59-53)37-28-31-49-46(34-37)45-24-13-14-26-48(45)55(49)40-16-5-1-6-17-40/h1-36H
InChIKeyJFRHPOXNYWJKOV-UHFFFAOYSA-N
XLogP14.83
TPSA41.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.88
LogP ≤ 514.83
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-phenyl-14-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134515861
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416
9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 147321695
3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154
3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 164821289
10-(8-carbazol-9-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134516179
3,6-di(dibenzofuran-2-yl)-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037350
3-[9-(2-dibenzofuran-1-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 126753266
2-[6-[9-(5,12-diphenylindolo[3,2-c]carbazol-9-yl)dibenzofuran-2-yl]-9-phenylcarbazol-2-yl]-11,12-diphenyl-8-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]indolo[2,3-a]carbazole
CID 167077856
3-[9-(6-dibenzofuran-1-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 118534204
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole
CID 138475173
5-phenyl-3-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 142347126

Frequently Asked Questions

What is the IUPAC name of 1,2,3-triphenyl-5-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,2λ5-benzodiazaphosphole 2-oxide?
The IUPAC name of 1,2,3-triphenyl-5-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,2λ5-benzodiazaphosphole 2-oxide (CID 134536016) is 1,2,3-triphenyl-5-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,2λ5-benzodiazaphosphole 2-oxide.
What is the SMILES notation for 1,2,3-triphenyl-5-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,2λ5-benzodiazaphosphole 2-oxide?
The canonical SMILES for 1,2,3-triphenyl-5-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,2λ5-benzodiazaphosphole 2-oxide is O=P1(c2ccccc2)N(c2ccccc2)c2ccc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c34)cc2N1c1ccccc1.
What is the InChIKey of 1,2,3-triphenyl-5-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,2λ5-benzodiazaphosphole 2-oxide?
The InChIKey is JFRHPOXNYWJKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N3O2P/c58-60(43-22-11-4-12-23-43)56(41-18-7-2-8-19-41)50-32-29-39(36-51(50)57(60)42-20-9-3-10-21-42)44-25-15-27-53-54(44)47-35-38(30-33-52(47)59-53)37-28-31-49-46(34-37)45-24-13-14-26-48(45)55(49)40-16-5-1-6-17-40/h1-36H.
What are the key properties of 1,2,3-triphenyl-5-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,2λ5-benzodiazaphosphole 2-oxide?
1,2,3-triphenyl-5-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,2λ5-benzodiazaphosphole 2-oxide has a molecular weight of 789.88 g/mol, XLogP of 14.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-triphenyl-5-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,2λ5-benzodiazaphosphole 2-oxide is sourced from PubChem (CID 134536016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).