12-phenyl-11-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[2,3-a]carbazole 12-oxide

C53H35N2OP — CID 121310471

IUPAC12-phenyl-11-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[2,3-a]carbazole 12-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5cc(-c6ccc(-c7ccccc7)cc6)cc(-c6ccccc6)n5)cc4)c3c21
InChIInChI=1S/C53H35N2OP/c56-57(43-18-8-3-9-19-43)51-23-13-11-21-45(51)47-33-32-46-44-20-10-12-22-50(44)55(52(46)53(47)57)42-30-28-40(29-31-42)49-35-41(34-48(54-49)39-16-6-2-7-17-39)38-26-24-37(25-27-38)36-14-4-1-5-15-36/h1-35H
InChIKeyKGFXIICKFLZEMO-UHFFFAOYSA-N
MW746.85 g/mol
LogP12.47
Rot. Bonds6

About 12-phenyl-11-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[2,3-a]carbazole 12-oxide

12-phenyl-11-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[2,3-a]carbazole 12-oxide (PubChem CID 121310471) has the molecular formula C53H35N2OP and a molecular weight of 746.85 g/mol. Its IUPAC name is 12-phenyl-11-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[2,3-a]carbazole 12-oxide.

Molecular Properties

Compound Name12-phenyl-11-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[2,3-a]carbazole 12-oxide
PubChem CID121310471
Molecular FormulaC53H35N2OP
Molecular Weight746.85 g/mol
Exact Mass746.25
IUPAC Name12-phenyl-11-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[2,3-a]carbazole 12-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5cc(-c6ccc(-c7ccccc7)cc6)cc(-c6ccccc6)n5)cc4)c3c21
InChIInChI=1S/C53H35N2OP/c56-57(43-18-8-3-9-19-43)51-23-13-11-21-45(51)47-33-32-46-44-20-10-12-22-50(44)55(52(46)53(47)57)42-30-28-40(29-31-42)49-35-41(34-48(54-49)39-16-6-2-7-17-39)38-26-24-37(25-27-38)36-14-4-1-5-15-36/h1-35H
InChIKeyKGFXIICKFLZEMO-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

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
12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide
CID 121310510
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-11-(3-phenylphenyl)phosphindolo[2,3-a]carbazole 12-oxide
CID 121310386
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
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylphosphindolo[3,2-b]carbazole 11-oxide
CID 121310284
12-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-5-phenylphosphindolo[3,2-a]carbazole 5-oxide
CID 121310859
12-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]phosphindolo[2,3-a]carbazole 12-oxide
CID 121310411
5-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310584
N-[4-[4-(12-oxo-12-phenylphosphindolo[2,3-a]carbazol-11-yl)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine
CID 121310517
12-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 118501935
11-naphthalen-1-yl-12-phenylphosphindolo[2,3-a]carbazole 12-oxide
CID 121310385

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-11-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[2,3-a]carbazole 12-oxide?
The IUPAC name of 12-phenyl-11-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[2,3-a]carbazole 12-oxide (CID 121310471) is 12-phenyl-11-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[2,3-a]carbazole 12-oxide.
What is the SMILES notation for 12-phenyl-11-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[2,3-a]carbazole 12-oxide?
The canonical SMILES for 12-phenyl-11-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[2,3-a]carbazole 12-oxide is O=P1(c2ccccc2)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc(-c5cc(-c6ccc(-c7ccccc7)cc6)cc(-c6ccccc6)n5)cc4)c3c21.
What is the InChIKey of 12-phenyl-11-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[2,3-a]carbazole 12-oxide?
The InChIKey is KGFXIICKFLZEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35N2OP/c56-57(43-18-8-3-9-19-43)51-23-13-11-21-45(51)47-33-32-46-44-20-10-12-22-50(44)55(52(46)53(47)57)42-30-28-40(29-31-42)49-35-41(34-48(54-49)39-16-6-2-7-17-39)38-26-24-37(25-27-38)36-14-4-1-5-15-36/h1-35H.
What are the key properties of 12-phenyl-11-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[2,3-a]carbazole 12-oxide?
12-phenyl-11-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[2,3-a]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 12-phenyl-11-[4-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]phenyl]phosphindolo[2,3-a]carbazole 12-oxide is sourced from PubChem (CID 121310471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).