9-[4-[methyl(phenyl)phosphoryl]phenyl]-10-naphthalen-1-ylanthracene

C37H27OP — CID 146539115

IUPAC9-[4-[methyl(phenyl)phosphoryl]phenyl]-10-naphthalen-1-ylanthracene
SMILESCP(=O)(c1ccccc1)c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C37H27OP/c1-39(38,28-14-3-2-4-15-28)29-24-22-27(23-25-29)36-32-17-7-9-19-34(32)37(35-20-10-8-18-33(35)36)31-21-11-13-26-12-5-6-16-30(26)31/h2-25H,1H3
InChIKeyRNVAVDYTQDJZFS-UHFFFAOYSA-N
MW518.60 g/mol
LogP9.42
Rot. Bonds4

About 9-[4-[methyl(phenyl)phosphoryl]phenyl]-10-naphthalen-1-ylanthracene

9-[4-[methyl(phenyl)phosphoryl]phenyl]-10-naphthalen-1-ylanthracene (PubChem CID 146539115) has the molecular formula C37H27OP and a molecular weight of 518.60 g/mol. Its IUPAC name is 9-[4-[methyl(phenyl)phosphoryl]phenyl]-10-naphthalen-1-ylanthracene.

Molecular Properties

Compound Name9-[4-[methyl(phenyl)phosphoryl]phenyl]-10-naphthalen-1-ylanthracene
PubChem CID146539115
Molecular FormulaC37H27OP
Molecular Weight518.60 g/mol
Exact Mass518.18
IUPAC Name9-[4-[methyl(phenyl)phosphoryl]phenyl]-10-naphthalen-1-ylanthracene
SMILESCP(=O)(c1ccccc1)c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C37H27OP/c1-39(38,28-14-3-2-4-15-28)29-24-22-27(23-25-29)36-32-17-7-9-19-34(32)37(35-20-10-8-18-33(35)36)31-21-11-13-26-12-5-6-16-30(26)31/h2-25H,1H3
InChIKeyRNVAVDYTQDJZFS-UHFFFAOYSA-N
XLogP9.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.60
LogP ≤ 59.42
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-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
9-naphthalen-1-yl-10-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 58876135
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]benzene-1,2,3,4,5-pentol
CID 162006914
9-(4-chlorophenyl)-10-naphthalen-1-ylanthracene
CID 145157949
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-6-phenylpyridine
CID 121338692
9-(6-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene
CID 123682471
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
4-[4-(N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]anilino)phenyl]-N,N-diphenylaniline
CID 59221810
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
9-[4-(8-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-10-phenylanthracene
CID 123260726

Frequently Asked Questions

What is the IUPAC name of 9-[4-[methyl(phenyl)phosphoryl]phenyl]-10-naphthalen-1-ylanthracene?
The IUPAC name of 9-[4-[methyl(phenyl)phosphoryl]phenyl]-10-naphthalen-1-ylanthracene (CID 146539115) is 9-[4-[methyl(phenyl)phosphoryl]phenyl]-10-naphthalen-1-ylanthracene.
What is the SMILES notation for 9-[4-[methyl(phenyl)phosphoryl]phenyl]-10-naphthalen-1-ylanthracene?
The canonical SMILES for 9-[4-[methyl(phenyl)phosphoryl]phenyl]-10-naphthalen-1-ylanthracene is CP(=O)(c1ccccc1)c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 9-[4-[methyl(phenyl)phosphoryl]phenyl]-10-naphthalen-1-ylanthracene?
The InChIKey is RNVAVDYTQDJZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27OP/c1-39(38,28-14-3-2-4-15-28)29-24-22-27(23-25-29)36-32-17-7-9-19-34(32)37(35-20-10-8-18-33(35)36)31-21-11-13-26-12-5-6-16-30(26)31/h2-25H,1H3.
What are the key properties of 9-[4-[methyl(phenyl)phosphoryl]phenyl]-10-naphthalen-1-ylanthracene?
9-[4-[methyl(phenyl)phosphoryl]phenyl]-10-naphthalen-1-ylanthracene has a molecular weight of 518.60 g/mol, XLogP of 9.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[methyl(phenyl)phosphoryl]phenyl]-10-naphthalen-1-ylanthracene is sourced from PubChem (CID 146539115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).