dimethyl-[6-methyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]phosphane

C39H31P — CID 143848458

IUPACdimethyl-[6-methyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]phosphane
SMILESCc1ccc2c(-c3cccc4ccccc34)c3cc(P(C)C)ccc3c(-c3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C39H31P/c1-26-16-22-35-36(24-26)38(30-19-17-28(18-20-30)27-10-5-4-6-11-27)34-23-21-31(40(2)3)25-37(34)39(35)33-15-9-13-29-12-7-8-14-32(29)33/h4-25H,1-3H3
InChIKeyGFLCIHPZWNKIJI-UHFFFAOYSA-N
MW530.65 g/mol
LogP10.82
Rot. Bonds4

About dimethyl-[6-methyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]phosphane

dimethyl-[6-methyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]phosphane (PubChem CID 143848458) has the molecular formula C39H31P and a molecular weight of 530.65 g/mol. Its IUPAC name is dimethyl-[6-methyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]phosphane.

Molecular Properties

Compound Namedimethyl-[6-methyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]phosphane
PubChem CID143848458
Molecular FormulaC39H31P
Molecular Weight530.65 g/mol
Exact Mass530.22
IUPAC Namedimethyl-[6-methyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]phosphane
SMILESCc1ccc2c(-c3cccc4ccccc34)c3cc(P(C)C)ccc3c(-c3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C39H31P/c1-26-16-22-35-36(24-26)38(30-19-17-28(18-20-30)27-10-5-4-6-11-27)34-23-21-31(40(2)3)25-37(34)39(35)33-15-9-13-29-12-7-8-14-32(29)33/h4-25H,1-3H3
InChIKeyGFLCIHPZWNKIJI-UHFFFAOYSA-N
XLogP10.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.65
LogP ≤ 510.82
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

2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene
CID 59766352
2,6-dimethyl-9-phenanthren-1-yl-10-(3-phenylphenyl)anthracene
CID 59718307
2-methyl-10-phenanthren-1-yl-9-(3-phenylphenyl)anthracene
CID 59856401
9-naphthalen-1-yl-2,6-diphenyl-10-(5-phenylnaphthalen-1-yl)anthracene;10-naphthalen-1-yl-2-phenyl-9-(5-phenylnaphthalen-1-yl)anthracene;2,7,10-triphenyl-9-(5-phenylnaphthalen-1-yl)anthracene
CID 163914119
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471
9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
CID 160747045
2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
CID 58323483
2-(6-methyl-9,10-dinaphthalen-1-ylanthracen-2-yl)-6-phenylpyridine
CID 59722146

Frequently Asked Questions

What is the IUPAC name of dimethyl-[6-methyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]phosphane?
The IUPAC name of dimethyl-[6-methyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]phosphane (CID 143848458) is dimethyl-[6-methyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]phosphane.
What is the SMILES notation for dimethyl-[6-methyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]phosphane?
The canonical SMILES for dimethyl-[6-methyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]phosphane is Cc1ccc2c(-c3cccc4ccccc34)c3cc(P(C)C)ccc3c(-c3ccc(-c4ccccc4)cc3)c2c1.
What is the InChIKey of dimethyl-[6-methyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]phosphane?
The InChIKey is GFLCIHPZWNKIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31P/c1-26-16-22-35-36(24-26)38(30-19-17-28(18-20-30)27-10-5-4-6-11-27)34-23-21-31(40(2)3)25-37(34)39(35)33-15-9-13-29-12-7-8-14-32(29)33/h4-25H,1-3H3.
What are the key properties of dimethyl-[6-methyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]phosphane?
dimethyl-[6-methyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]phosphane has a molecular weight of 530.65 g/mol, XLogP of 10.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[6-methyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracen-2-yl]phosphane is sourced from PubChem (CID 143848458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).