dimethyl-methylidene-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-λ5-phosphane

C33H27P — CID 159522397

IUPACdimethyl-methylidene-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-λ5-phosphane
SMILESC=P(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C33H27P/c1-34(2,3)27-20-18-24(19-21-27)32-28-12-6-8-14-30(28)33(31-15-9-7-13-29(31)32)26-17-16-23-10-4-5-11-25(23)22-26/h4-22H,1H2,2-3H3
InChIKeyWBEIWUBXBSRBIU-UHFFFAOYSA-N
MW454.55 g/mol
LogP8.81
Rot. Bonds3

About dimethyl-methylidene-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-λ5-phosphane

dimethyl-methylidene-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-λ5-phosphane (PubChem CID 159522397) has the molecular formula C33H27P and a molecular weight of 454.55 g/mol. Its IUPAC name is dimethyl-methylidene-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-λ5-phosphane.

Molecular Properties

Compound Namedimethyl-methylidene-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-λ5-phosphane
PubChem CID159522397
Molecular FormulaC33H27P
Molecular Weight454.55 g/mol
Exact Mass454.19
IUPAC Namedimethyl-methylidene-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-λ5-phosphane
SMILESC=P(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1
InChIInChI=1S/C33H27P/c1-34(2,3)27-20-18-24(19-21-27)32-28-12-6-8-14-30(28)33(31-15-9-7-13-29(31)32)26-17-16-23-10-4-5-11-25(23)22-26/h4-22H,1H2,2-3H3
InChIKeyWBEIWUBXBSRBIU-UHFFFAOYSA-N
XLogP8.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.55
LogP ≤ 58.81
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

9-(4-dimethylphosphorylphenyl)-10-(3,5-dinaphthalen-2-ylphenyl)anthracene
CID 140947009
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
dimethyl-methylidene-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-λ5-phosphane
CID 158473253
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9-naphthalen-2-yl-10-[4-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]naphthalen-1-yl]phenyl]anthracene
CID 59523734
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9-(4-ethylphenyl)-10-naphthalen-2-ylanthracene
CID 142403047
9-(4-ethenylphenyl)-10-naphthalen-2-ylanthracene
CID 86076120

Frequently Asked Questions

What is the IUPAC name of dimethyl-methylidene-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-λ5-phosphane?
The IUPAC name of dimethyl-methylidene-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-λ5-phosphane (CID 159522397) is dimethyl-methylidene-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-λ5-phosphane.
What is the SMILES notation for dimethyl-methylidene-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-λ5-phosphane?
The canonical SMILES for dimethyl-methylidene-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-λ5-phosphane is C=P(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.
What is the InChIKey of dimethyl-methylidene-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-λ5-phosphane?
The InChIKey is WBEIWUBXBSRBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27P/c1-34(2,3)27-20-18-24(19-21-27)32-28-12-6-8-14-30(28)33(31-15-9-7-13-29(31)32)26-17-16-23-10-4-5-11-25(23)22-26/h4-22H,1H2,2-3H3.
What are the key properties of dimethyl-methylidene-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-λ5-phosphane?
dimethyl-methylidene-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-λ5-phosphane has a molecular weight of 454.55 g/mol, XLogP of 8.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-methylidene-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-λ5-phosphane is sourced from PubChem (CID 159522397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).