9-(6-diphenylphosphorylnaphthalen-2-yl)-2-methyl-10-(2-methyl-4-phenylphenyl)-1,2-dihydroanthracene

C50H39OP — CID 154932307

IUPAC9-(6-diphenylphosphorylnaphthalen-2-yl)-2-methyl-10-(2-methyl-4-phenylphenyl)-1,2-dihydroanthracene
SMILESCc1cc(-c2ccccc2)ccc1-c1c2c(c(-c3ccc4cc(P(=O)(c5ccccc5)c5ccccc5)ccc4c3)c3ccccc13)CC(C)C=C2
InChIInChI=1S/C50H39OP/c1-34-22-28-47-48(30-34)49(45-20-12-13-21-46(45)50(47)44-29-26-37(31-35(44)2)36-14-6-3-7-15-36)40-24-23-39-33-43(27-25-38(39)32-40)52(51,41-16-8-4-9-17-41)42-18-10-5-11-19-42/h3-29,31-34H,30H2,1-2H3
InChIKeyGYTXLGLDJFEFTF-UHFFFAOYSA-N
MW686.84 g/mol
LogP12.15
Rot. Bonds6

About 9-(6-diphenylphosphorylnaphthalen-2-yl)-2-methyl-10-(2-methyl-4-phenylphenyl)-1,2-dihydroanthracene

9-(6-diphenylphosphorylnaphthalen-2-yl)-2-methyl-10-(2-methyl-4-phenylphenyl)-1,2-dihydroanthracene (PubChem CID 154932307) has the molecular formula C50H39OP and a molecular weight of 686.84 g/mol. Its IUPAC name is 9-(6-diphenylphosphorylnaphthalen-2-yl)-2-methyl-10-(2-methyl-4-phenylphenyl)-1,2-dihydroanthracene.

Molecular Properties

Compound Name9-(6-diphenylphosphorylnaphthalen-2-yl)-2-methyl-10-(2-methyl-4-phenylphenyl)-1,2-dihydroanthracene
PubChem CID154932307
Molecular FormulaC50H39OP
Molecular Weight686.84 g/mol
Exact Mass686.27
IUPAC Name9-(6-diphenylphosphorylnaphthalen-2-yl)-2-methyl-10-(2-methyl-4-phenylphenyl)-1,2-dihydroanthracene
SMILESCc1cc(-c2ccccc2)ccc1-c1c2c(c(-c3ccc4cc(P(=O)(c5ccccc5)c5ccccc5)ccc4c3)c3ccccc13)CC(C)C=C2
InChIInChI=1S/C50H39OP/c1-34-22-28-47-48(30-34)49(45-20-12-13-21-46(45)50(47)44-29-26-37(31-35(44)2)36-14-6-3-7-15-36)40-24-23-39-33-43(27-25-38(39)32-40)52(51,41-16-8-4-9-17-41)42-18-10-5-11-19-42/h3-29,31-34H,30H2,1-2H3
InChIKeyGYTXLGLDJFEFTF-UHFFFAOYSA-N
XLogP12.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.84
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-(6-diphenylphosphorylnaphthalen-2-yl)-2-methyl-10-(2-methyl-4-phenylphenyl)-1,2-dihydroanthracene 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

3-[4-(3-methyl-10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]pyridine
CID 155052921
2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140901948
2-[3-(6-diphenylphosphorylnaphthalen-2-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(6-diphenylphosphorylnaphthalen-2-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-(4-diphenylphosphorylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 159382370
9-[3-[3-methyl-4-(3-methylnaphthalen-2-yl)phenyl]phenyl]-10-(4-naphthalen-2-ylphenyl)anthracene
CID 144703489
5-[4-[naphthalen-2-yl(phenyl)phosphoryl]phenyl]benzo[a]anthracene
CID 118672810
9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene
CID 166031061
2-methyl-6-[4-(3-methyl-10-phenyl-3,4-dihydroanthracen-9-yl)phenyl]-1-phenyl-4,5-dihydrobenzimidazole
CID 167023241
2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine
CID 155273418
9-(3-anthracen-9-yl-5-diphenylphosphorylphenyl)anthracene;9-[3-[(3-anthracen-9-ylphenyl)-phenylphosphoryl]phenyl]anthracene;9-(3-diphenylphosphorylphenyl)anthracene;2-(3-diphenylphosphorylphenyl)-9,10-dinaphthalen-2-ylanthracene;9-(3-diphenylphosphorylphenyl)-10-(4-phenylphenyl)anthracene;1-[3-(3-diphenylphosphorylphenyl)-5-pyren-1-ylphenyl]pyrene
CID 157310352
2-[4-[4-(4-diphenylphosphorylphenyl)naphthalen-1-yl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901945
2-[[4-(4-dinaphthalen-2-ylphosphorylphenyl)phenyl]-naphthalen-2-ylphosphoryl]naphthalene
CID 58982866
4-[4-(3-diphenylphosphorylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaene
CID 167411227

Frequently Asked Questions

What is the IUPAC name of 9-(6-diphenylphosphorylnaphthalen-2-yl)-2-methyl-10-(2-methyl-4-phenylphenyl)-1,2-dihydroanthracene?
The IUPAC name of 9-(6-diphenylphosphorylnaphthalen-2-yl)-2-methyl-10-(2-methyl-4-phenylphenyl)-1,2-dihydroanthracene (CID 154932307) is 9-(6-diphenylphosphorylnaphthalen-2-yl)-2-methyl-10-(2-methyl-4-phenylphenyl)-1,2-dihydroanthracene.
What is the SMILES notation for 9-(6-diphenylphosphorylnaphthalen-2-yl)-2-methyl-10-(2-methyl-4-phenylphenyl)-1,2-dihydroanthracene?
The canonical SMILES for 9-(6-diphenylphosphorylnaphthalen-2-yl)-2-methyl-10-(2-methyl-4-phenylphenyl)-1,2-dihydroanthracene is Cc1cc(-c2ccccc2)ccc1-c1c2c(c(-c3ccc4cc(P(=O)(c5ccccc5)c5ccccc5)ccc4c3)c3ccccc13)CC(C)C=C2.
What is the InChIKey of 9-(6-diphenylphosphorylnaphthalen-2-yl)-2-methyl-10-(2-methyl-4-phenylphenyl)-1,2-dihydroanthracene?
The InChIKey is GYTXLGLDJFEFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H39OP/c1-34-22-28-47-48(30-34)49(45-20-12-13-21-46(45)50(47)44-29-26-37(31-35(44)2)36-14-6-3-7-15-36)40-24-23-39-33-43(27-25-38(39)32-40)52(51,41-16-8-4-9-17-41)42-18-10-5-11-19-42/h3-29,31-34H,30H2,1-2H3.
What are the key properties of 9-(6-diphenylphosphorylnaphthalen-2-yl)-2-methyl-10-(2-methyl-4-phenylphenyl)-1,2-dihydroanthracene?
9-(6-diphenylphosphorylnaphthalen-2-yl)-2-methyl-10-(2-methyl-4-phenylphenyl)-1,2-dihydroanthracene has a molecular weight of 686.84 g/mol, XLogP of 12.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-diphenylphosphorylnaphthalen-2-yl)-2-methyl-10-(2-methyl-4-phenylphenyl)-1,2-dihydroanthracene is sourced from PubChem (CID 154932307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).