4-[[1-[2-bis(4-hydroxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-(4-hydroxyphenyl)phosphanyl]phenol

C44H32O4P2 — CID 102082604

IUPAC4-[[1-[2-bis(4-hydroxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-(4-hydroxyphenyl)phosphanyl]phenol
SMILESOc1ccc(P(c2ccc(O)cc2)c2ccc3ccccc3c2-c2c(P(c3ccc(O)cc3)c3ccc(O)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C44H32O4P2/c45-31-11-19-35(20-12-31)49(36-21-13-32(46)14-22-36)41-27-9-29-5-1-3-7-39(29)43(41)44-40-8-4-2-6-30(40)10-28-42(44)50(37-23-15-33(47)16-24-37)38-25-17-34(48)18-26-38/h1-28,45-48H
InChIKeyQIGIGHLCLDLDJC-UHFFFAOYSA-N
MW686.68 g/mol
LogP8.00
Rot. Bonds7

About 4-[[1-[2-bis(4-hydroxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-(4-hydroxyphenyl)phosphanyl]phenol

4-[[1-[2-bis(4-hydroxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-(4-hydroxyphenyl)phosphanyl]phenol (PubChem CID 102082604) has the molecular formula C44H32O4P2 and a molecular weight of 686.68 g/mol. Its IUPAC name is 4-[[1-[2-bis(4-hydroxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-(4-hydroxyphenyl)phosphanyl]phenol.

Molecular Properties

Compound Name4-[[1-[2-bis(4-hydroxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-(4-hydroxyphenyl)phosphanyl]phenol
PubChem CID102082604
Molecular FormulaC44H32O4P2
Molecular Weight686.68 g/mol
Exact Mass686.18
IUPAC Name4-[[1-[2-bis(4-hydroxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-(4-hydroxyphenyl)phosphanyl]phenol
SMILESOc1ccc(P(c2ccc(O)cc2)c2ccc3ccccc3c2-c2c(P(c3ccc(O)cc3)c3ccc(O)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C44H32O4P2/c45-31-11-19-35(20-12-31)49(36-21-13-32(46)14-22-36)41-27-9-29-5-1-3-7-39(29)43(41)44-40-8-4-2-6-30(40)10-28-42(44)50(37-23-15-33(47)16-24-37)38-25-17-34(48)18-26-38/h1-28,45-48H
InChIKeyQIGIGHLCLDLDJC-UHFFFAOYSA-N
XLogP8.00
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.68
LogP ≤ 58.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;ruthenium;dihydrobromide
CID 173284385
[1-[2-bis(4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxyphenyl)phosphane
CID 10462740
6-diphenylphosphanyl-5-(2-diphenylphosphanyl-6-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 135074802
[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;ruthenium(2+);dichloride
CID 173032958
carbon monoxide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;rhodium
CID 139254479
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(1+);acetate
CID 21202945
[1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis[4-(trifluoromethyl)phenyl]phosphane
CID 21470378
diphenyl-[1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 59732549
[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane
CID 11981183
[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane
CID 4189905

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[2-bis(4-hydroxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-(4-hydroxyphenyl)phosphanyl]phenol?
The IUPAC name of 4-[[1-[2-bis(4-hydroxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-(4-hydroxyphenyl)phosphanyl]phenol (CID 102082604) is 4-[[1-[2-bis(4-hydroxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-(4-hydroxyphenyl)phosphanyl]phenol.
What is the SMILES notation for 4-[[1-[2-bis(4-hydroxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-(4-hydroxyphenyl)phosphanyl]phenol?
The canonical SMILES for 4-[[1-[2-bis(4-hydroxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-(4-hydroxyphenyl)phosphanyl]phenol is Oc1ccc(P(c2ccc(O)cc2)c2ccc3ccccc3c2-c2c(P(c3ccc(O)cc3)c3ccc(O)cc3)ccc3ccccc23)cc1.
What is the InChIKey of 4-[[1-[2-bis(4-hydroxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-(4-hydroxyphenyl)phosphanyl]phenol?
The InChIKey is QIGIGHLCLDLDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32O4P2/c45-31-11-19-35(20-12-31)49(36-21-13-32(46)14-22-36)41-27-9-29-5-1-3-7-39(29)43(41)44-40-8-4-2-6-30(40)10-28-42(44)50(37-23-15-33(47)16-24-37)38-25-17-34(48)18-26-38/h1-28,45-48H.
What are the key properties of 4-[[1-[2-bis(4-hydroxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-(4-hydroxyphenyl)phosphanyl]phenol?
4-[[1-[2-bis(4-hydroxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-(4-hydroxyphenyl)phosphanyl]phenol has a molecular weight of 686.68 g/mol, XLogP of 8.00, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[2-bis(4-hydroxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-(4-hydroxyphenyl)phosphanyl]phenol is sourced from PubChem (CID 102082604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).