2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-[4-dimethylphosphanylbutyl(methyl)phosphanyl]-5-methylphenyl]-4-methylphenol

C52H50N2O2P2 — CID 134225963

IUPAC2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-[4-dimethylphosphanylbutyl(methyl)phosphanyl]-5-methylphenyl]-4-methylphenol
SMILESCc1cc(-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(P(C)CCCCP(C)C)c(-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c1
InChIInChI=1S/C52H50N2O2P2/c1-33-29-42(40-27-34(2)31-48(50(40)55)53-44-21-11-7-17-36(44)37-18-8-12-22-45(37)53)52(58(6)26-16-15-25-57(4)5)43(30-33)41-28-35(3)32-49(51(41)56)54-46-23-13-9-19-38(46)39-20-10-14-24-47(39)54/h7-14,17-24,27-32,55-56H,15-16,25-26H2,1-6H3
InChIKeyYSWIFCMKEXLNQC-UHFFFAOYSA-N
MW796.93 g/mol
LogP13.81
Rot. Bonds10

About 2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-[4-dimethylphosphanylbutyl(methyl)phosphanyl]-5-methylphenyl]-4-methylphenol

2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-[4-dimethylphosphanylbutyl(methyl)phosphanyl]-5-methylphenyl]-4-methylphenol (PubChem CID 134225963) has the molecular formula C52H50N2O2P2 and a molecular weight of 796.93 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-[4-dimethylphosphanylbutyl(methyl)phosphanyl]-5-methylphenyl]-4-methylphenol.

Molecular Properties

Compound Name2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-[4-dimethylphosphanylbutyl(methyl)phosphanyl]-5-methylphenyl]-4-methylphenol
PubChem CID134225963
Molecular FormulaC52H50N2O2P2
Molecular Weight796.93 g/mol
Exact Mass796.33
IUPAC Name2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-[4-dimethylphosphanylbutyl(methyl)phosphanyl]-5-methylphenyl]-4-methylphenol
SMILESCc1cc(-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(P(C)CCCCP(C)C)c(-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c1
InChIInChI=1S/C52H50N2O2P2/c1-33-29-42(40-27-34(2)31-48(50(40)55)53-44-21-11-7-17-36(44)37-18-8-12-22-45(37)53)52(58(6)26-16-15-25-57(4)5)43(30-33)41-28-35(3)32-49(51(41)56)54-46-23-13-9-19-38(46)39-20-10-14-24-47(39)54/h7-14,17-24,27-32,55-56H,15-16,25-26H2,1-6H3
InChIKeyYSWIFCMKEXLNQC-UHFFFAOYSA-N
XLogP13.81
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.93
LogP ≤ 513.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-[4-dimethylphosphanylbutyl(methyl)phosphanyl]-5-methylphenyl]-4-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]propoxy]phenyl]-4-methylphenol;hafnium(4+);chloride
CID 24826473
2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-5-methyl-2-(2-methylsulfanylethylsulfanyl)phenyl]-4-methylphenol
CID 134226012
2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-[4-(dimethylamino)butoxy]-5-methylphenyl]-4-methylphenol
CID 134225902
2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]-2,4-dimethylpentan-2-yl]oxyphenyl]-4-methylphenol
CID 21030294
2-carbazol-9-yl-6-[2-[(2R)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol
CID 58649310
2-carbazol-9-yl-6-[2-[4-[1-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]-4-methylphenol
CID 20749787
2-carbazol-9-yl-6-[[(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)methylamino]methyl]-4-methylphenol
CID 160943850
2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclopentyl]oxyphenyl]-4-methylphenol
CID 21030278
2-carbazol-9-yl-6-[2-[(2S,4S)-4-[[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-pyridinyl]oxy]pentan-2-yl]oxy-3-pyridinyl]-4-methylphenol
CID 147481920
4-tert-butyl-2-[2-[3-[2-(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)-4-methylphenoxy]propoxy]-5-methylphenyl]-6-carbazol-9-ylphenol
CID 122648865
2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclohexyl]oxyphenyl]-4-methylphenol
CID 21030303
2-[2-[6-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenyl]-2-pyridinyl]carbazol-9-yl]-4-methyl-6-phenylphenol
CID 175157618

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-[4-dimethylphosphanylbutyl(methyl)phosphanyl]-5-methylphenyl]-4-methylphenol?
The IUPAC name of 2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-[4-dimethylphosphanylbutyl(methyl)phosphanyl]-5-methylphenyl]-4-methylphenol (CID 134225963) is 2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-[4-dimethylphosphanylbutyl(methyl)phosphanyl]-5-methylphenyl]-4-methylphenol.
What is the SMILES notation for 2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-[4-dimethylphosphanylbutyl(methyl)phosphanyl]-5-methylphenyl]-4-methylphenol?
The canonical SMILES for 2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-[4-dimethylphosphanylbutyl(methyl)phosphanyl]-5-methylphenyl]-4-methylphenol is Cc1cc(-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(P(C)CCCCP(C)C)c(-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c1.
What is the InChIKey of 2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-[4-dimethylphosphanylbutyl(methyl)phosphanyl]-5-methylphenyl]-4-methylphenol?
The InChIKey is YSWIFCMKEXLNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H50N2O2P2/c1-33-29-42(40-27-34(2)31-48(50(40)55)53-44-21-11-7-17-36(44)37-18-8-12-22-45(37)53)52(58(6)26-16-15-25-57(4)5)43(30-33)41-28-35(3)32-49(51(41)56)54-46-23-13-9-19-38(46)39-20-10-14-24-47(39)54/h7-14,17-24,27-32,55-56H,15-16,25-26H2,1-6H3.
What are the key properties of 2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-[4-dimethylphosphanylbutyl(methyl)phosphanyl]-5-methylphenyl]-4-methylphenol?
2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-[4-dimethylphosphanylbutyl(methyl)phosphanyl]-5-methylphenyl]-4-methylphenol has a molecular weight of 796.93 g/mol, XLogP of 13.81, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-[4-dimethylphosphanylbutyl(methyl)phosphanyl]-5-methylphenyl]-4-methylphenol is sourced from PubChem (CID 134225963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).