6-hexyl-1-(6-hexyl-2-phenylnaphthalen-1-yl)naphthalen-2-ol

C38H42O — CID 166440328

IUPAC6-hexyl-1-(6-hexyl-2-phenylnaphthalen-1-yl)naphthalen-2-ol
SMILESCCCCCCc1ccc2c(-c3c(-c4ccccc4)ccc4cc(CCCCCC)ccc34)c(O)ccc2c1
InChIInChI=1S/C38H42O/c1-3-5-7-10-14-28-18-22-34-31(26-28)20-24-33(30-16-12-9-13-17-30)37(34)38-35-23-19-29(15-11-8-6-4-2)27-32(35)21-25-36(38)39/h9,12-13,16-27,39H,3-8,10-11,14-15H2,1-2H3
InChIKeyVETYGVJGNMUUCH-UHFFFAOYSA-N
MW514.75 g/mol
LogP11.28
Rot. Bonds12

About 6-hexyl-1-(6-hexyl-2-phenylnaphthalen-1-yl)naphthalen-2-ol

6-hexyl-1-(6-hexyl-2-phenylnaphthalen-1-yl)naphthalen-2-ol (PubChem CID 166440328) has the molecular formula C38H42O and a molecular weight of 514.75 g/mol. Its IUPAC name is 6-hexyl-1-(6-hexyl-2-phenylnaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

Compound Name6-hexyl-1-(6-hexyl-2-phenylnaphthalen-1-yl)naphthalen-2-ol
PubChem CID166440328
Molecular FormulaC38H42O
Molecular Weight514.75 g/mol
Exact Mass514.32
IUPAC Name6-hexyl-1-(6-hexyl-2-phenylnaphthalen-1-yl)naphthalen-2-ol
SMILESCCCCCCc1ccc2c(-c3c(-c4ccccc4)ccc4cc(CCCCCC)ccc34)c(O)ccc2c1
InChIInChI=1S/C38H42O/c1-3-5-7-10-14-28-18-22-34-31(26-28)20-24-33(30-16-12-9-13-17-30)37(34)38-35-23-19-29(15-11-8-6-4-2)27-32(35)21-25-36(38)39/h9,12-13,16-27,39H,3-8,10-11,14-15H2,1-2H3
InChIKeyVETYGVJGNMUUCH-UHFFFAOYSA-N
XLogP11.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.75
LogP ≤ 511.28
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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Related Compounds

4-pentyl-2-phenylphenol
CID 154147556
1-(2-hydroxynaphthalen-1-yl)-6-(5-sulfanylpentyl)naphthalen-2-ol
CID 11463398
6-pentylnaphthalen-1-ol
CID 69480806
4-[9-(4-hydroxy-3-phenylphenyl)nonyl]-2-phenylphenol
CID 70422254
4-[6-(4-hydroxy-3-phenylphenyl)hexyl]-2-phenylphenol
CID 139679162
2-hexyl-4-phenylbenzene-1,3-diol
CID 23109189
4-hexyl-2-(2-hydroxyphenyl)phenol
CID 139699928
3-decyl-4-pentyl-2-phenylphenol
CID 66867188
4-heptyl-3-nonyl-2-phenylphenol
CID 66865847
18-nonylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 123838982
(5-pentyl-2-phenylphenyl)boronic acid
CID 68778715
2-chloro-4-pentyl-1-phenylbenzene
CID 139836929

Frequently Asked Questions

What is the IUPAC name of 6-hexyl-1-(6-hexyl-2-phenylnaphthalen-1-yl)naphthalen-2-ol?
The IUPAC name of 6-hexyl-1-(6-hexyl-2-phenylnaphthalen-1-yl)naphthalen-2-ol (CID 166440328) is 6-hexyl-1-(6-hexyl-2-phenylnaphthalen-1-yl)naphthalen-2-ol.
What is the SMILES notation for 6-hexyl-1-(6-hexyl-2-phenylnaphthalen-1-yl)naphthalen-2-ol?
The canonical SMILES for 6-hexyl-1-(6-hexyl-2-phenylnaphthalen-1-yl)naphthalen-2-ol is CCCCCCc1ccc2c(-c3c(-c4ccccc4)ccc4cc(CCCCCC)ccc34)c(O)ccc2c1.
What is the InChIKey of 6-hexyl-1-(6-hexyl-2-phenylnaphthalen-1-yl)naphthalen-2-ol?
The InChIKey is VETYGVJGNMUUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42O/c1-3-5-7-10-14-28-18-22-34-31(26-28)20-24-33(30-16-12-9-13-17-30)37(34)38-35-23-19-29(15-11-8-6-4-2)27-32(35)21-25-36(38)39/h9,12-13,16-27,39H,3-8,10-11,14-15H2,1-2H3.
What are the key properties of 6-hexyl-1-(6-hexyl-2-phenylnaphthalen-1-yl)naphthalen-2-ol?
6-hexyl-1-(6-hexyl-2-phenylnaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 514.75 g/mol, XLogP of 11.28, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexyl-1-(6-hexyl-2-phenylnaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 166440328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).