5-(6-diphenylphosphorylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine

C44H30NOPS — CID 129086024

IUPAC5-(6-diphenylphosphorylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2cc(-c3ccc(C4=CCc5ccccc5-c5sc6ccccc6c54)nc3)ccc2c1
InChIInChI=1S/C44H30NOPS/c46-47(35-12-3-1-4-13-35,36-14-5-2-6-15-36)37-24-21-31-27-32(19-20-33(31)28-37)34-23-26-41(45-29-34)39-25-22-30-11-7-8-16-38(30)44-43(39)40-17-9-10-18-42(40)48-44/h1-21,23-29H,22H2
InChIKeyYGMMNBNWXNUXQS-UHFFFAOYSA-N
MW651.77 g/mol
LogP10.41
Rot. Bonds5

About 5-(6-diphenylphosphorylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine

5-(6-diphenylphosphorylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine (PubChem CID 129086024) has the molecular formula C44H30NOPS and a molecular weight of 651.77 g/mol. Its IUPAC name is 5-(6-diphenylphosphorylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine.

Molecular Properties

Compound Name5-(6-diphenylphosphorylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine
PubChem CID129086024
Molecular FormulaC44H30NOPS
Molecular Weight651.77 g/mol
Exact Mass651.18
IUPAC Name5-(6-diphenylphosphorylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccc2cc(-c3ccc(C4=CCc5ccccc5-c5sc6ccccc6c54)nc3)ccc2c1
InChIInChI=1S/C44H30NOPS/c46-47(35-12-3-1-4-13-35,36-14-5-2-6-15-36)37-24-21-31-27-32(19-20-33(31)28-37)34-23-26-41(45-29-34)39-25-22-30-11-7-8-16-38(30)44-43(39)40-17-9-10-18-42(40)48-44/h1-21,23-29H,22H2
InChIKeyYGMMNBNWXNUXQS-UHFFFAOYSA-N
XLogP10.41
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 510.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(6-diphenylphosphorylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine 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

5-(6-naphthalen-2-ylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine
CID 129086004
4-(6-diphenylphosphorylnaphthalen-2-yl)-16-thia-2,8-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
CID 134389099
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
2-dibenzothiophen-2-yl-5-[6-(4-fluorophenyl)naphthalen-2-yl]pyridine
CID 169293943
2-(1,2-dihydrodibenzothiophen-4-yl)-5-[6-[2-(9H-fluoren-1-yl)pyrimidin-5-yl]naphthalen-2-yl]pyrimidine
CID 137383901
5-dibenzothiophen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]pyridine
CID 153187941
5-[2,4-bis(diphenylphosphoryl)phenyl]-2-phenylpyridine
CID 137420215
2-[9-(4-diphenylphosphorylphenyl)dibenzothiophen-2-yl]-1,10-phenanthroline
CID 142462478
[4-[7-(6-dibenzothiophen-4-yl-3-pyridinyl)naphthalen-2-yl]phenyl]-trimethylsilane
CID 169293440
2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenylpyrimidine
CID 155273418
2-[[4-(4-dinaphthalen-2-ylphosphorylphenyl)phenyl]-naphthalen-2-ylphosphoryl]naphthalene
CID 58982866

Frequently Asked Questions

What is the IUPAC name of 5-(6-diphenylphosphorylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine?
The IUPAC name of 5-(6-diphenylphosphorylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine (CID 129086024) is 5-(6-diphenylphosphorylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine.
What is the SMILES notation for 5-(6-diphenylphosphorylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine?
The canonical SMILES for 5-(6-diphenylphosphorylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine is O=P(c1ccccc1)(c1ccccc1)c1ccc2cc(-c3ccc(C4=CCc5ccccc5-c5sc6ccccc6c54)nc3)ccc2c1.
What is the InChIKey of 5-(6-diphenylphosphorylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine?
The InChIKey is YGMMNBNWXNUXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30NOPS/c46-47(35-12-3-1-4-13-35,36-14-5-2-6-15-36)37-24-21-31-27-32(19-20-33(31)28-37)34-23-26-41(45-29-34)39-25-22-30-11-7-8-16-38(30)44-43(39)40-17-9-10-18-42(40)48-44/h1-21,23-29H,22H2.
What are the key properties of 5-(6-diphenylphosphorylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine?
5-(6-diphenylphosphorylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine has a molecular weight of 651.77 g/mol, XLogP of 10.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-diphenylphosphorylnaphthalen-2-yl)-2-(18-thiatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,9,12,14,16-octaen-10-yl)pyridine is sourced from PubChem (CID 129086024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).