12-phenyl-5-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide

C54H36NOP — CID 121310656

IUPAC12-phenyl-5-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C54H36NOP/c56-57(46-18-8-3-9-19-46)52-23-13-11-20-47(52)48-32-33-51-53(54(48)57)49-21-10-12-22-50(49)55(51)45-30-28-41(29-31-45)44-35-42(38-16-6-2-7-17-38)34-43(36-44)40-26-24-39(25-27-40)37-14-4-1-5-15-37/h1-36H
InChIKeyNMXZZKHSQHLEEJ-UHFFFAOYSA-N
MW745.86 g/mol
LogP13.07
Rot. Bonds6

About 12-phenyl-5-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide

12-phenyl-5-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide (PubChem CID 121310656) has the molecular formula C54H36NOP and a molecular weight of 745.86 g/mol. Its IUPAC name is 12-phenyl-5-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide.

Molecular Properties

Compound Name12-phenyl-5-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide
PubChem CID121310656
Molecular FormulaC54H36NOP
Molecular Weight745.86 g/mol
Exact Mass745.25
IUPAC Name12-phenyl-5-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide
SMILESO=P1(c2ccccc2)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccccc4)cc3)c2)cc1
InChIInChI=1S/C54H36NOP/c56-57(46-18-8-3-9-19-46)52-23-13-11-20-47(52)48-32-33-51-53(54(48)57)49-21-10-12-22-50(49)55(51)45-30-28-41(29-31-45)44-35-42(38-16-6-2-7-17-38)34-43(36-44)40-26-24-39(25-27-40)37-14-4-1-5-15-37/h1-36H
InChIKeyNMXZZKHSQHLEEJ-UHFFFAOYSA-N
XLogP13.07
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.86
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

5-(3,5-diphenylphenyl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310570
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
5-[4-(4-naphthalen-2-ylphenyl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310677
12-phenyl-5-(9-phenylcarbazol-2-yl)phosphindolo[3,2-c]carbazole 12-oxide
CID 121310614
N-naphthalen-2-yl-N-[4-[4-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]naphthalen-2-amine
CID 121310702
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-[4,6-bis(4-phenylphenyl)-2-pyridinyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310584
5-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310688
5-chrysen-3-yl-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310710
3-(12-oxo-12-phenylphosphindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 121310641
12-phenyl-11-[4-(9-phenylcarbazol-2-yl)phenyl]phosphindolo[2,3-a]carbazole 12-oxide
CID 121310510
5-(9,9-dimethyl-7-naphthalen-1-ylfluoren-2-yl)-12-phenylphosphindolo[3,2-c]carbazole 12-oxide
CID 121310611

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-5-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide?
The IUPAC name of 12-phenyl-5-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide (CID 121310656) is 12-phenyl-5-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide.
What is the SMILES notation for 12-phenyl-5-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide?
The canonical SMILES for 12-phenyl-5-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide is O=P1(c2ccccc2)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-c4ccccc4)cc3)c2)cc1.
What is the InChIKey of 12-phenyl-5-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide?
The InChIKey is NMXZZKHSQHLEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36NOP/c56-57(46-18-8-3-9-19-46)52-23-13-11-20-47(52)48-32-33-51-53(54(48)57)49-21-10-12-22-50(49)55(51)45-30-28-41(29-31-45)44-35-42(38-16-6-2-7-17-38)34-43(36-44)40-26-24-39(25-27-40)37-14-4-1-5-15-37/h1-36H.
What are the key properties of 12-phenyl-5-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide?
12-phenyl-5-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide has a molecular weight of 745.86 g/mol, XLogP of 13.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-5-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phosphindolo[3,2-c]carbazole 12-oxide is sourced from PubChem (CID 121310656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).