diphenyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-8-yl]phosphane

C36H28NPSe — CID 169052707

IUPACdiphenyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-8-yl]phosphane
SMILESCC(C)c1cc(-c2nccc3c2[se]c2c(P(c4ccccc4)c4ccccc4)cccc23)cc2ccccc12
InChIInChI=1S/C36H28NPSe/c1-24(2)32-23-26(22-25-12-9-10-17-29(25)32)34-36-31(20-21-37-34)30-18-11-19-33(35(30)39-36)38(27-13-5-3-6-14-27)28-15-7-4-8-16-28/h3-24H,1-2H3
InChIKeyTWRZLEXRUZKWBR-UHFFFAOYSA-N
MW584.56 g/mol
LogP8.15
Rot. Bonds5

About diphenyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-8-yl]phosphane

diphenyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-8-yl]phosphane (PubChem CID 169052707) has the molecular formula C36H28NPSe and a molecular weight of 584.56 g/mol. Its IUPAC name is diphenyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-8-yl]phosphane.

Molecular Properties

Compound Namediphenyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-8-yl]phosphane
PubChem CID169052707
Molecular FormulaC36H28NPSe
Molecular Weight584.56 g/mol
Exact Mass585.11
IUPAC Namediphenyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-8-yl]phosphane
SMILESCC(C)c1cc(-c2nccc3c2[se]c2c(P(c4ccccc4)c4ccccc4)cccc23)cc2ccccc12
InChIInChI=1S/C36H28NPSe/c1-24(2)32-23-26(22-25-12-9-10-17-29(25)32)34-36-31(20-21-37-34)30-18-11-19-33(35(30)39-36)38(27-13-5-3-6-14-27)28-15-7-4-8-16-28/h3-24H,1-2H3
InChIKeyTWRZLEXRUZKWBR-UHFFFAOYSA-N
XLogP8.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.56
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-[3-[8-(2-methylpropyl)-[1]benzoselenolo[2,3-c]pyridin-1-yl]naphthalen-1-yl]-phenylsilane
CID 170932157
trimethyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-7-yl]silane
CID 166018657
[difluoro-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]methyl]-trimethylsilane
CID 170533908
5,5-dimethyl-1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzogermolo[3,2-c]pyridine
CID 172528387
2-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-3-methyl-7-(4-propan-2-ylnaphthalen-2-yl)thieno[2,3-c]pyridine
CID 171578829
trimethyl-[7-methyl-1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]silane
CID 170533921
[3-deuterio-3-fluoro-3-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzothiolo[2,3-c]pyridin-8-yl]propyl]-trimethylsilane
CID 170533877
6-propan-2-yl-1-(4-propan-2-ylphenanthren-2-yl)isoquinoline
CID 170661018
trimethyl-[3-methyl-4-[2-(4-propan-2-ylnaphthalen-2-yl)-4-pyridinyl]phenyl]germane
CID 171764430
8-(2-methylpropyl)-4-(4-propan-2-ylnaphthalen-2-yl)-5,6-dihydro-3,7-phenanthroline
CID 171450218
4-[4-(difluoromethyl)naphthalen-2-yl]-8-methylbenzo[f]isoquinoline
CID 170520724
trimethyl-[[5-methyl-2-(4-propan-2-ylnaphthalen-2-yl)-4-pyridinyl]methyl]germane
CID 177122703

Frequently Asked Questions

What is the IUPAC name of diphenyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-8-yl]phosphane?
The IUPAC name of diphenyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-8-yl]phosphane (CID 169052707) is diphenyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-8-yl]phosphane.
What is the SMILES notation for diphenyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-8-yl]phosphane?
The canonical SMILES for diphenyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-8-yl]phosphane is CC(C)c1cc(-c2nccc3c2[se]c2c(P(c4ccccc4)c4ccccc4)cccc23)cc2ccccc12.
What is the InChIKey of diphenyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-8-yl]phosphane?
The InChIKey is TWRZLEXRUZKWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28NPSe/c1-24(2)32-23-26(22-25-12-9-10-17-29(25)32)34-36-31(20-21-37-34)30-18-11-19-33(35(30)39-36)38(27-13-5-3-6-14-27)28-15-7-4-8-16-28/h3-24H,1-2H3.
What are the key properties of diphenyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-8-yl]phosphane?
diphenyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-8-yl]phosphane has a molecular weight of 584.56 g/mol, XLogP of 8.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[1-(4-propan-2-ylnaphthalen-2-yl)-[1]benzoselenolo[2,3-c]pyridin-8-yl]phosphane is sourced from PubChem (CID 169052707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).