9-[3-dimethylphosphoryl-5-[2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]anthracene

C36H31OP — CID 129164088

IUPAC9-[3-dimethylphosphoryl-5-[2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]anthracene
SMILESC/C=C\c1cc2ccccc2c(-c2cc(-c3c4ccccc4cc4ccccc34)cc(P(C)(C)=O)c2)c1C
InChIInChI=1S/C36H31OP/c1-5-12-25-19-26-13-6-9-16-32(26)35(24(25)2)29-21-30(23-31(22-29)38(3,4)37)36-33-17-10-7-14-27(33)20-28-15-8-11-18-34(28)36/h5-23H,1-4H3/b12-5-
InChIKeyQTNRUKZWMZDBPW-XGICHPGQSA-N
MW510.62 g/mol
LogP10.07
Rot. Bonds4

About 9-[3-dimethylphosphoryl-5-[2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]anthracene

9-[3-dimethylphosphoryl-5-[2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]anthracene (PubChem CID 129164088) has the molecular formula C36H31OP and a molecular weight of 510.62 g/mol. Its IUPAC name is 9-[3-dimethylphosphoryl-5-[2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]anthracene.

Molecular Properties

Compound Name9-[3-dimethylphosphoryl-5-[2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]anthracene
PubChem CID129164088
Molecular FormulaC36H31OP
Molecular Weight510.62 g/mol
Exact Mass510.21
IUPAC Name9-[3-dimethylphosphoryl-5-[2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]anthracene
SMILESC/C=C\c1cc2ccccc2c(-c2cc(-c3c4ccccc4cc4ccccc34)cc(P(C)(C)=O)c2)c1C
InChIInChI=1S/C36H31OP/c1-5-12-25-19-26-13-6-9-16-32(26)35(24(25)2)29-21-30(23-31(22-29)38(3,4)37)36-33-17-10-7-14-27(33)20-28-15-8-11-18-34(28)36/h5-23H,1-4H3/b12-5-
InChIKeyQTNRUKZWMZDBPW-XGICHPGQSA-N
XLogP10.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.62
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-[3-dimethylphosphoryl-5-[2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]anthracene 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

9-[4-(3-dimethylphosphorylphenyl)phenyl]anthracene
CID 129164109
9-(4-dimethylphosphorylphenyl)-10-(3,5-dinaphthalen-2-ylphenyl)anthracene
CID 140947009
9-[3-(4-diphenylphosphorylphenyl)-5-phenylphenyl]anthracene;9-[4-[3-(3-diphenylphosphorylphenyl)phenyl]phenyl]anthracene
CID 164967366
2-[3,5-di(anthracen-9-yl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 88542086
9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene
CID 122597792
3-[3-[3,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]phenyl]phenyl]-9-(3-phenanthren-9-ylphenyl)phenanthrene
CID 143808978
1-prop-1-enylanthracene
CID 54542061
2-[3-anthracen-9-yl-5-[4-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 118895278
2,9,10-tris(3-dimethylphosphorylphenyl)anthracene
CID 142477663
9-(3-anthracen-9-yl-5-fluorophenyl)anthracene
CID 122597790
9-anthracen-9-ylanthracene;toluene
CID 86148014
10-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]-2-(4-methylphenyl)-9-naphthalen-2-ylanthracene
CID 145000887

Frequently Asked Questions

What is the IUPAC name of 9-[3-dimethylphosphoryl-5-[2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]anthracene?
The IUPAC name of 9-[3-dimethylphosphoryl-5-[2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]anthracene (CID 129164088) is 9-[3-dimethylphosphoryl-5-[2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]anthracene.
What is the SMILES notation for 9-[3-dimethylphosphoryl-5-[2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]anthracene?
The canonical SMILES for 9-[3-dimethylphosphoryl-5-[2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]anthracene is C/C=C\c1cc2ccccc2c(-c2cc(-c3c4ccccc4cc4ccccc34)cc(P(C)(C)=O)c2)c1C.
What is the InChIKey of 9-[3-dimethylphosphoryl-5-[2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]anthracene?
The InChIKey is QTNRUKZWMZDBPW-XGICHPGQSA-N. The full InChI is InChI=1S/C36H31OP/c1-5-12-25-19-26-13-6-9-16-32(26)35(24(25)2)29-21-30(23-31(22-29)38(3,4)37)36-33-17-10-7-14-27(33)20-28-15-8-11-18-34(28)36/h5-23H,1-4H3/b12-5-.
What are the key properties of 9-[3-dimethylphosphoryl-5-[2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]anthracene?
9-[3-dimethylphosphoryl-5-[2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]anthracene has a molecular weight of 510.62 g/mol, XLogP of 10.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-dimethylphosphoryl-5-[2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]anthracene is sourced from PubChem (CID 129164088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).