5-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide

C53H35N2OP — CID 121310584

IUPAC5-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C53H35N2OP/c56-57(43-18-8-3-9-19-43)50-23-13-11-20-44(50)45-32-33-49-52(53(45)57)46-21-10-12-22-48(46)55(49)51-35-42(40-26-24-38(25-27-40)36-14-4-1-5-15-36)34-47(54-51)41-30-28-39(29-31-41)37-16-6-2-7-17-37/h1-35H
InChIKeyJRGHFTVVGFJTEY-UHFFFAOYSA-N
MW746.85 g/mol
LogP12.47
Rot. Bonds6

About 5-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide

5-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide (PubChem CID 121310584) has the molecular formula C53H35N2OP and a molecular weight of 746.85 g/mol. Its IUPAC name is 5-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide.

Molecular Properties

Compound Name5-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
PubChem CID121310584
Molecular FormulaC53H35N2OP
Molecular Weight746.85 g/mol
Exact Mass746.25
IUPAC Name5-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccc(-c3ccccc3)cc2)n1
InChIInChI=1S/C53H35N2OP/c56-57(43-18-8-3-9-19-43)50-23-13-11-20-44(50)45-32-33-49-52(53(45)57)46-21-10-12-22-48(46)55(49)51-35-42(40-26-24-38(25-27-40)36-14-4-1-5-15-36)34-47(54-51)41-30-28-39(29-31-41)37-16-6-2-7-17-37/h1-35H
InChIKeyJRGHFTVVGFJTEY-UHFFFAOYSA-N
XLogP12.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.85
LogP ≤ 512.47
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

5-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;5-[4-[4,6-bis(4-phenylphenyl)-2-pyridinyl]phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide;12-phenyl-5-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide
CID 161379261
12-phenyl-5-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide
CID 121310656
5-(3,5-diphenylphenyl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310570
23-phenyl-12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-12-aza-23λ5-phosphahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene 23-oxide
CID 121310732
24-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-3-phenyl-24-aza-3λ5-phosphahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene 3-oxide
CID 121310541
12-phenyl-11-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[2,3-a]carbazole 12-oxide
CID 121310471
11-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide;11-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-12-phenylphosphindolo[2,3-a]carbazole 12-oxide;N-[4-[4-(12-oxo-12-phenylphosphindolo[2,3-a]carbazol-11-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159948216
9-[3,5-bis(4-phenylphenyl)phenyl]-24-phenyl-9-aza-24λ5-phosphahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene 24-oxide
CID 121310717
5-(2,6-diphenyl-4-pyridinyl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;5-(4,6-diphenyl-2-pyridinyl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide;5-(4,6-diphenylpyrimidin-2-yl)-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 159279384
5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310611
5-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310206
12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide
CID 121310614

Frequently Asked Questions

What is the IUPAC name of 5-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
The IUPAC name of 5-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide (CID 121310584) is 5-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide.
What is the SMILES notation for 5-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
The canonical SMILES for 5-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide is O=P1(c2ccccc2)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccc(-c3ccccc3)cc2)n1.
What is the InChIKey of 5-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
The InChIKey is JRGHFTVVGFJTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N2OP/c56-57(43-18-8-3-9-19-43)50-23-13-11-20-44(50)45-32-33-49-52(53(45)57)46-21-10-12-22-48(46)55(49)51-35-42(40-26-24-38(25-27-40)36-14-4-1-5-15-36)34-47(54-51)41-30-28-39(29-31-41)37-16-6-2-7-17-37/h1-35H.
What are the key properties of 5-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide?
5-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide has a molecular weight of 746.85 g/mol, XLogP of 12.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide is sourced from PubChem (CID 121310584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).