1-[2-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]oxynaphthalen-1-yl]naphthalen-2-ol

C29H28NO2P — CID 139039878

IUPAC1-[2-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]oxynaphthalen-1-yl]naphthalen-2-ol
SMILESCCN(CC)[P@](Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12)C1=CC=CC1
InChIInChI=1S/C29H28NO2P/c1-3-30(4-2)33(23-13-7-8-14-23)32-27-20-18-22-12-6-10-16-25(22)29(27)28-24-15-9-5-11-21(24)17-19-26(28)31/h5-13,15-20,31H,3-4,14H2,1-2H3/t33-/m1/s1
InChIKeyFOEIOQVLBOFKTO-MGBGTMOVSA-N
MW453.52 g/mol
LogP8.24
Rot. Bonds7

About 1-[2-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]oxynaphthalen-1-yl]naphthalen-2-ol

1-[2-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]oxynaphthalen-1-yl]naphthalen-2-ol (PubChem CID 139039878) has the molecular formula C29H28NO2P and a molecular weight of 453.52 g/mol. Its IUPAC name is 1-[2-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]oxynaphthalen-1-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[2-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]oxynaphthalen-1-yl]naphthalen-2-ol
PubChem CID139039878
Molecular FormulaC29H28NO2P
Molecular Weight453.52 g/mol
Exact Mass453.19
IUPAC Name1-[2-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]oxynaphthalen-1-yl]naphthalen-2-ol
SMILESCCN(CC)[P@](Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12)C1=CC=CC1
InChIInChI=1S/C29H28NO2P/c1-3-30(4-2)33(23-13-7-8-14-23)32-27-20-18-22-12-6-10-16-25(22)29(27)28-24-15-9-5-11-21(24)17-19-26(28)31/h5-13,15-20,31H,3-4,14H2,1-2H3/t33-/m1/s1
InChIKeyFOEIOQVLBOFKTO-MGBGTMOVSA-N
XLogP8.24
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.52
LogP ≤ 58.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]oxynaphthalen-1-yl]naphthalen-2-ol?
The IUPAC name of 1-[2-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]oxynaphthalen-1-yl]naphthalen-2-ol (CID 139039878) is 1-[2-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]oxynaphthalen-1-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[2-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]oxynaphthalen-1-yl]naphthalen-2-ol?
The canonical SMILES for 1-[2-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]oxynaphthalen-1-yl]naphthalen-2-ol is CCN(CC)[P@](Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12)C1=CC=CC1.
What is the InChIKey of 1-[2-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]oxynaphthalen-1-yl]naphthalen-2-ol?
The InChIKey is FOEIOQVLBOFKTO-MGBGTMOVSA-N. The full InChI is InChI=1S/C29H28NO2P/c1-3-30(4-2)33(23-13-7-8-14-23)32-27-20-18-22-12-6-10-16-25(22)29(27)28-24-15-9-5-11-21(24)17-19-26(28)31/h5-13,15-20,31H,3-4,14H2,1-2H3/t33-/m1/s1.
What are the key properties of 1-[2-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]oxynaphthalen-1-yl]naphthalen-2-ol?
1-[2-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]oxynaphthalen-1-yl]naphthalen-2-ol has a molecular weight of 453.52 g/mol, XLogP of 8.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopenta-1,3-dien-1-yl(diethylamino)phosphanyl]oxynaphthalen-1-yl]naphthalen-2-ol is sourced from PubChem (CID 139039878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).