[1-(2-diphenylphosphanyl-5,10-dihydroheptalen-1-yl)naphthalen-2-yl]-diphenylphosphane

C46H36P2 — CID 143050703

IUPAC[1-(2-diphenylphosphanyl-5,10-dihydroheptalen-1-yl)naphthalen-2-yl]-diphenylphosphane
SMILESC1=CCC2=C(C=C1)CC=CC(P(c1ccccc1)c1ccccc1)=C2c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C46H36P2/c1-6-19-35-21-18-32-43(47(37-22-7-2-8-23-37)38-24-9-3-10-25-38)45(41(35)30-15-1)46-42-31-17-16-20-36(42)33-34-44(46)48(39-26-11-4-12-27-39)40-28-13-5-14-29-40/h1-20,22-29,31-34H,21,30H2
InChIKeyLQJJQFWDBIELOO-UHFFFAOYSA-N
MW650.74 g/mol
LogP10.21
Rot. Bonds7

About [1-(2-diphenylphosphanyl-5,10-dihydroheptalen-1-yl)naphthalen-2-yl]-diphenylphosphane

[1-(2-diphenylphosphanyl-5,10-dihydroheptalen-1-yl)naphthalen-2-yl]-diphenylphosphane (PubChem CID 143050703) has the molecular formula C46H36P2 and a molecular weight of 650.74 g/mol. Its IUPAC name is [1-(2-diphenylphosphanyl-5,10-dihydroheptalen-1-yl)naphthalen-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[1-(2-diphenylphosphanyl-5,10-dihydroheptalen-1-yl)naphthalen-2-yl]-diphenylphosphane
PubChem CID143050703
Molecular FormulaC46H36P2
Molecular Weight650.74 g/mol
Exact Mass650.23
IUPAC Name[1-(2-diphenylphosphanyl-5,10-dihydroheptalen-1-yl)naphthalen-2-yl]-diphenylphosphane
SMILESC1=CCC2=C(C=C1)CC=CC(P(c1ccccc1)c1ccccc1)=C2c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C46H36P2/c1-6-19-35-21-18-32-43(47(37-22-7-2-8-23-37)38-24-9-3-10-25-38)45(41(35)30-15-1)46-42-31-17-16-20-36(42)33-34-44(46)48(39-26-11-4-12-27-39)40-28-13-5-14-29-40/h1-20,22-29,31-34H,21,30H2
InChIKeyLQJJQFWDBIELOO-UHFFFAOYSA-N
XLogP10.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.74
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

carbon monoxide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;rhodium
CID 139254479
bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane
CID 11981183
4-[[1-[2-bis[4-(dimethylamino)phenyl]phosphanylnaphthalen-1-yl]-9H-benzo[7]annulen-2-yl]-[4-(dimethylamino)phenyl]phosphanyl]-N,N-dimethylaniline
CID 143428787
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(1+);acetate
CID 21202945
diphenyl-[1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 59732549
diethylazanide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(2+);chloride
CID 54759317
[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane
CID 177405371
[1-(2,3-dimethyl-3,4-dihydronaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 148708793
[1-(3,6-dimethylpyrazin-2-yl)naphthalen-2-yl]-diphenylphosphane
CID 15430391
[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;ruthenium;dihydrobromide
CID 173284385

Frequently Asked Questions

What is the IUPAC name of [1-(2-diphenylphosphanyl-5,10-dihydroheptalen-1-yl)naphthalen-2-yl]-diphenylphosphane?
The IUPAC name of [1-(2-diphenylphosphanyl-5,10-dihydroheptalen-1-yl)naphthalen-2-yl]-diphenylphosphane (CID 143050703) is [1-(2-diphenylphosphanyl-5,10-dihydroheptalen-1-yl)naphthalen-2-yl]-diphenylphosphane.
What is the SMILES notation for [1-(2-diphenylphosphanyl-5,10-dihydroheptalen-1-yl)naphthalen-2-yl]-diphenylphosphane?
The canonical SMILES for [1-(2-diphenylphosphanyl-5,10-dihydroheptalen-1-yl)naphthalen-2-yl]-diphenylphosphane is C1=CCC2=C(C=C1)CC=CC(P(c1ccccc1)c1ccccc1)=C2c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12.
What is the InChIKey of [1-(2-diphenylphosphanyl-5,10-dihydroheptalen-1-yl)naphthalen-2-yl]-diphenylphosphane?
The InChIKey is LQJJQFWDBIELOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36P2/c1-6-19-35-21-18-32-43(47(37-22-7-2-8-23-37)38-24-9-3-10-25-38)45(41(35)30-15-1)46-42-31-17-16-20-36(42)33-34-44(46)48(39-26-11-4-12-27-39)40-28-13-5-14-29-40/h1-20,22-29,31-34H,21,30H2.
What are the key properties of [1-(2-diphenylphosphanyl-5,10-dihydroheptalen-1-yl)naphthalen-2-yl]-diphenylphosphane?
[1-(2-diphenylphosphanyl-5,10-dihydroheptalen-1-yl)naphthalen-2-yl]-diphenylphosphane has a molecular weight of 650.74 g/mol, XLogP of 10.21, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-diphenylphosphanyl-5,10-dihydroheptalen-1-yl)naphthalen-2-yl]-diphenylphosphane is sourced from PubChem (CID 143050703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).