9-(3-dipropylphosphorylphenyl)-10-naphthalen-2-ylanthracene

C36H33OP — CID 129164017

IUPAC9-(3-dipropylphosphorylphenyl)-10-naphthalen-2-ylanthracene
SMILESCCCP(=O)(CCC)c1cccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
InChIInChI=1S/C36H33OP/c1-3-22-38(37,23-4-2)30-15-11-14-28(25-30)35-31-16-7-9-18-33(31)36(34-19-10-8-17-32(34)35)29-21-20-26-12-5-6-13-27(26)24-29/h5-21,24-25H,3-4,22-23H2,1-2H3
InChIKeyYAXWOBKTQGWPLB-UHFFFAOYSA-N
MW512.63 g/mol
LogP10.29
Rot. Bonds7

About 9-(3-dipropylphosphorylphenyl)-10-naphthalen-2-ylanthracene

9-(3-dipropylphosphorylphenyl)-10-naphthalen-2-ylanthracene (PubChem CID 129164017) has the molecular formula C36H33OP and a molecular weight of 512.63 g/mol. Its IUPAC name is 9-(3-dipropylphosphorylphenyl)-10-naphthalen-2-ylanthracene.

Molecular Properties

Compound Name9-(3-dipropylphosphorylphenyl)-10-naphthalen-2-ylanthracene
PubChem CID129164017
Molecular FormulaC36H33OP
Molecular Weight512.63 g/mol
Exact Mass512.23
IUPAC Name9-(3-dipropylphosphorylphenyl)-10-naphthalen-2-ylanthracene
SMILESCCCP(=O)(CCC)c1cccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1
InChIInChI=1S/C36H33OP/c1-3-22-38(37,23-4-2)30-15-11-14-28(25-30)35-31-16-7-9-18-33(31)36(34-19-10-8-17-32(34)35)29-21-20-26-12-5-6-13-27(26)24-29/h5-21,24-25H,3-4,22-23H2,1-2H3
InChIKeyYAXWOBKTQGWPLB-UHFFFAOYSA-N
XLogP10.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.63
LogP ≤ 510.29
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'}

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Related Compounds

9-(3-dicyclohexylphosphorylphenyl)-10-naphthalen-2-ylanthracene;9-(3-dimethylphosphorylphenyl)-10-(4-phenylphenyl)anthracene;9-(4-dimethylphosphorylphenyl)-10-(4-phenylphenyl)anthracene;9-(4-dipropylphosphorylphenyl)-10-naphthalen-2-ylanthracene
CID 160762535
ethane;9-naphthalen-2-yl-10-phenylanthracene
CID 91207825
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427
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-ethyl-10-naphthalen-2-ylanthracene
CID 143444762
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-3-ylnaphthalen-2-yl)anthracene
CID 58194491
5,12-bis(3-naphthalen-2-ylphenyl)tetracene
CID 58434984
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
2-dibutylphosphorylnaphthalene
CID 102600182

Frequently Asked Questions

What is the IUPAC name of 9-(3-dipropylphosphorylphenyl)-10-naphthalen-2-ylanthracene?
The IUPAC name of 9-(3-dipropylphosphorylphenyl)-10-naphthalen-2-ylanthracene (CID 129164017) is 9-(3-dipropylphosphorylphenyl)-10-naphthalen-2-ylanthracene.
What is the SMILES notation for 9-(3-dipropylphosphorylphenyl)-10-naphthalen-2-ylanthracene?
The canonical SMILES for 9-(3-dipropylphosphorylphenyl)-10-naphthalen-2-ylanthracene is CCCP(=O)(CCC)c1cccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.
What is the InChIKey of 9-(3-dipropylphosphorylphenyl)-10-naphthalen-2-ylanthracene?
The InChIKey is YAXWOBKTQGWPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33OP/c1-3-22-38(37,23-4-2)30-15-11-14-28(25-30)35-31-16-7-9-18-33(31)36(34-19-10-8-17-32(34)35)29-21-20-26-12-5-6-13-27(26)24-29/h5-21,24-25H,3-4,22-23H2,1-2H3.
What are the key properties of 9-(3-dipropylphosphorylphenyl)-10-naphthalen-2-ylanthracene?
9-(3-dipropylphosphorylphenyl)-10-naphthalen-2-ylanthracene has a molecular weight of 512.63 g/mol, XLogP of 10.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-dipropylphosphorylphenyl)-10-naphthalen-2-ylanthracene is sourced from PubChem (CID 129164017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).