2,4-diphenyl-3-(9-phenylnonyl)phenol

C33H36O — CID 175082705

IUPAC2,4-diphenyl-3-(9-phenylnonyl)phenol
SMILESOc1ccc(-c2ccccc2)c(CCCCCCCCCc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C33H36O/c34-32-26-25-30(28-20-12-7-13-21-28)31(33(32)29-22-14-8-15-23-29)24-16-5-3-1-2-4-9-17-27-18-10-6-11-19-27/h6-8,10-15,18-23,25-26,34H,1-5,9,16-17,24H2
InChIKeyIXNOAVWCAMFXJH-UHFFFAOYSA-N
MW448.65 g/mol
LogP9.24
Rot. Bonds12

About 2,4-diphenyl-3-(9-phenylnonyl)phenol

2,4-diphenyl-3-(9-phenylnonyl)phenol (PubChem CID 175082705) has the molecular formula C33H36O and a molecular weight of 448.65 g/mol. Its IUPAC name is 2,4-diphenyl-3-(9-phenylnonyl)phenol.

Molecular Properties

Compound Name2,4-diphenyl-3-(9-phenylnonyl)phenol
PubChem CID175082705
Molecular FormulaC33H36O
Molecular Weight448.65 g/mol
Exact Mass448.28
IUPAC Name2,4-diphenyl-3-(9-phenylnonyl)phenol
SMILESOc1ccc(-c2ccccc2)c(CCCCCCCCCc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C33H36O/c34-32-26-25-30(28-20-12-7-13-21-28)31(33(32)29-22-14-8-15-23-29)24-16-5-3-1-2-4-9-17-27-18-10-6-11-19-27/h6-8,10-15,18-23,25-26,34H,1-5,9,16-17,24H2
InChIKeyIXNOAVWCAMFXJH-UHFFFAOYSA-N
XLogP9.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.65
LogP ≤ 59.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-3-(9-phenylnonyl)phenol?
The IUPAC name of 2,4-diphenyl-3-(9-phenylnonyl)phenol (CID 175082705) is 2,4-diphenyl-3-(9-phenylnonyl)phenol.
What is the SMILES notation for 2,4-diphenyl-3-(9-phenylnonyl)phenol?
The canonical SMILES for 2,4-diphenyl-3-(9-phenylnonyl)phenol is Oc1ccc(-c2ccccc2)c(CCCCCCCCCc2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2,4-diphenyl-3-(9-phenylnonyl)phenol?
The InChIKey is IXNOAVWCAMFXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36O/c34-32-26-25-30(28-20-12-7-13-21-28)31(33(32)29-22-14-8-15-23-29)24-16-5-3-1-2-4-9-17-27-18-10-6-11-19-27/h6-8,10-15,18-23,25-26,34H,1-5,9,16-17,24H2.
What are the key properties of 2,4-diphenyl-3-(9-phenylnonyl)phenol?
2,4-diphenyl-3-(9-phenylnonyl)phenol has a molecular weight of 448.65 g/mol, XLogP of 9.24, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-3-(9-phenylnonyl)phenol is sourced from PubChem (CID 175082705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).