methyl-[10-(4-phenylphenyl)anthracen-9-yl]phosphane

C27H21P — CID 129174523

IUPACmethyl-[10-(4-phenylphenyl)anthracen-9-yl]phosphane
SMILESCPc1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C27H21P/c1-28-27-24-13-7-5-11-22(24)26(23-12-6-8-14-25(23)27)21-17-15-20(16-18-21)19-9-3-2-4-10-19/h2-18,28H,1H3
InChIKeyYPTBJAGPGIIYPB-UHFFFAOYSA-N
MW376.44 g/mol
LogP7.26
Rot. Bonds3

About methyl-[10-(4-phenylphenyl)anthracen-9-yl]phosphane

methyl-[10-(4-phenylphenyl)anthracen-9-yl]phosphane (PubChem CID 129174523) has the molecular formula C27H21P and a molecular weight of 376.44 g/mol. Its IUPAC name is methyl-[10-(4-phenylphenyl)anthracen-9-yl]phosphane.

Molecular Properties

Compound Namemethyl-[10-(4-phenylphenyl)anthracen-9-yl]phosphane
PubChem CID129174523
Molecular FormulaC27H21P
Molecular Weight376.44 g/mol
Exact Mass376.14
IUPAC Namemethyl-[10-(4-phenylphenyl)anthracen-9-yl]phosphane
SMILESCPc1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C27H21P/c1-28-27-24-13-7-5-11-22(24)26(23-12-6-8-14-25(23)27)21-17-15-20(16-18-21)19-9-3-2-4-10-19/h2-18,28H,1H3
InChIKeyYPTBJAGPGIIYPB-UHFFFAOYSA-N
XLogP7.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.44
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
9-methyl-10-(4-phenylphenyl)anthracene
CID 58820618
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
CID 143321579
CID 143321579
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
trimethyl-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]silane
CID 157160990
9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520
9-(3,5-dimethylphenyl)-10-phenylanthracene
CID 170561654
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463
9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 59024577
5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
CID 140754623
9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene
CID 59024571

Frequently Asked Questions

What is the IUPAC name of methyl-[10-(4-phenylphenyl)anthracen-9-yl]phosphane?
The IUPAC name of methyl-[10-(4-phenylphenyl)anthracen-9-yl]phosphane (CID 129174523) is methyl-[10-(4-phenylphenyl)anthracen-9-yl]phosphane.
What is the SMILES notation for methyl-[10-(4-phenylphenyl)anthracen-9-yl]phosphane?
The canonical SMILES for methyl-[10-(4-phenylphenyl)anthracen-9-yl]phosphane is CPc1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12.
What is the InChIKey of methyl-[10-(4-phenylphenyl)anthracen-9-yl]phosphane?
The InChIKey is YPTBJAGPGIIYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21P/c1-28-27-24-13-7-5-11-22(24)26(23-12-6-8-14-25(23)27)21-17-15-20(16-18-21)19-9-3-2-4-10-19/h2-18,28H,1H3.
What are the key properties of methyl-[10-(4-phenylphenyl)anthracen-9-yl]phosphane?
methyl-[10-(4-phenylphenyl)anthracen-9-yl]phosphane has a molecular weight of 376.44 g/mol, XLogP of 7.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[10-(4-phenylphenyl)anthracen-9-yl]phosphane is sourced from PubChem (CID 129174523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).