1,3-diphenyl-2,5-bis(9-phenylcarbazol-3-yl)-1,3,2λ5-benzodiazaphosphole 2-oxide

C54H37N4OP — CID 134535949

IUPAC1,3-diphenyl-2,5-bis(9-phenylcarbazol-3-yl)-1,3,2λ5-benzodiazaphosphole 2-oxide
SMILESO=P1(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2N1c1ccccc1
InChIInChI=1S/C54H37N4OP/c59-60(44-31-34-52-48(37-44)46-26-14-16-28-50(46)56(52)41-19-7-2-8-20-41)57(42-21-9-3-10-22-42)53-33-30-39(36-54(53)58(60)43-23-11-4-12-24-43)38-29-32-51-47(35-38)45-25-13-15-27-49(45)55(51)40-17-5-1-6-18-40/h1-37H
InChIKeyMGZOIDDUUHSFQQ-UHFFFAOYSA-N
MW788.89 g/mol
LogP14.36
Rot. Bonds6

About 1,3-diphenyl-2,5-bis(9-phenylcarbazol-3-yl)-1,3,2λ5-benzodiazaphosphole 2-oxide

1,3-diphenyl-2,5-bis(9-phenylcarbazol-3-yl)-1,3,2λ5-benzodiazaphosphole 2-oxide (PubChem CID 134535949) has the molecular formula C54H37N4OP and a molecular weight of 788.89 g/mol. Its IUPAC name is 1,3-diphenyl-2,5-bis(9-phenylcarbazol-3-yl)-1,3,2λ5-benzodiazaphosphole 2-oxide.

Molecular Properties

Compound Name1,3-diphenyl-2,5-bis(9-phenylcarbazol-3-yl)-1,3,2λ5-benzodiazaphosphole 2-oxide
PubChem CID134535949
Molecular FormulaC54H37N4OP
Molecular Weight788.89 g/mol
Exact Mass788.27
IUPAC Name1,3-diphenyl-2,5-bis(9-phenylcarbazol-3-yl)-1,3,2λ5-benzodiazaphosphole 2-oxide
SMILESO=P1(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2N1c1ccccc1
InChIInChI=1S/C54H37N4OP/c59-60(44-31-34-52-48(37-44)46-26-14-16-28-50(46)56(52)41-19-7-2-8-20-41)57(42-21-9-3-10-22-42)53-33-30-39(36-54(53)58(60)43-23-11-4-12-24-43)38-29-32-51-47(35-38)45-25-13-15-27-49(45)55(51)40-17-5-1-6-18-40/h1-37H
InChIKeyMGZOIDDUUHSFQQ-UHFFFAOYSA-N
XLogP14.36
TPSA33.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.89
LogP ≤ 514.36
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

2-[3-carbazol-9-yl-5-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-(4-carbazol-9-ylphenyl)-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[3,5-di(carbazol-9-yl)phenyl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide;2-[6-(2-oxo-1,3-diphenyl-1,3,2λ5-benzodiazaphosphol-2-yl)-9-phenylcarbazol-3-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 158143516
5-[3-(3,6-diphenylcarbazol-9-yl)-5-phenylphenyl]-1,2,3-triphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 134535919
1,2,3-triphenyl-5-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 134536016
2-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]-1,3-diphenyl-1,3,2λ5-benzodiazaphosphole 2-oxide
CID 58399956
3-[9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90085403
3-(4-carbazol-9-ylphenyl)-9-phenylcarbazole
CID 20685483
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole
CID 134378390
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-2,5-bis(9-phenylcarbazol-3-yl)-1,3,2λ5-benzodiazaphosphole 2-oxide?
The IUPAC name of 1,3-diphenyl-2,5-bis(9-phenylcarbazol-3-yl)-1,3,2λ5-benzodiazaphosphole 2-oxide (CID 134535949) is 1,3-diphenyl-2,5-bis(9-phenylcarbazol-3-yl)-1,3,2λ5-benzodiazaphosphole 2-oxide.
What is the SMILES notation for 1,3-diphenyl-2,5-bis(9-phenylcarbazol-3-yl)-1,3,2λ5-benzodiazaphosphole 2-oxide?
The canonical SMILES for 1,3-diphenyl-2,5-bis(9-phenylcarbazol-3-yl)-1,3,2λ5-benzodiazaphosphole 2-oxide is O=P1(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)N(c2ccccc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2N1c1ccccc1.
What is the InChIKey of 1,3-diphenyl-2,5-bis(9-phenylcarbazol-3-yl)-1,3,2λ5-benzodiazaphosphole 2-oxide?
The InChIKey is MGZOIDDUUHSFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N4OP/c59-60(44-31-34-52-48(37-44)46-26-14-16-28-50(46)56(52)41-19-7-2-8-20-41)57(42-21-9-3-10-22-42)53-33-30-39(36-54(53)58(60)43-23-11-4-12-24-43)38-29-32-51-47(35-38)45-25-13-15-27-49(45)55(51)40-17-5-1-6-18-40/h1-37H.
What are the key properties of 1,3-diphenyl-2,5-bis(9-phenylcarbazol-3-yl)-1,3,2λ5-benzodiazaphosphole 2-oxide?
1,3-diphenyl-2,5-bis(9-phenylcarbazol-3-yl)-1,3,2λ5-benzodiazaphosphole 2-oxide has a molecular weight of 788.89 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-2,5-bis(9-phenylcarbazol-3-yl)-1,3,2λ5-benzodiazaphosphole 2-oxide is sourced from PubChem (CID 134535949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).