1-[1-(1H-inden-1-yl)-1-(4-phenylphenyl)ethyl]naphthalen-2-ol

C33H26O — CID 166761377

IUPAC1-[1-(1H-inden-1-yl)-1-(4-phenylphenyl)ethyl]naphthalen-2-ol
SMILESCC(c1ccc(-c2ccccc2)cc1)(c1c(O)ccc2ccccc12)C1C=Cc2ccccc21
InChIInChI=1S/C33H26O/c1-33(30-21-17-25-11-5-7-13-28(25)30,32-29-14-8-6-12-26(29)18-22-31(32)34)27-19-15-24(16-20-27)23-9-3-2-4-10-23/h2-22,30,34H,1H3
InChIKeyIRUHSBBDUHNWKD-UHFFFAOYSA-N
MW438.57 g/mol
LogP8.33
Rot. Bonds4

About 1-[1-(1H-inden-1-yl)-1-(4-phenylphenyl)ethyl]naphthalen-2-ol

1-[1-(1H-inden-1-yl)-1-(4-phenylphenyl)ethyl]naphthalen-2-ol (PubChem CID 166761377) has the molecular formula C33H26O and a molecular weight of 438.57 g/mol. Its IUPAC name is 1-[1-(1H-inden-1-yl)-1-(4-phenylphenyl)ethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[1-(1H-inden-1-yl)-1-(4-phenylphenyl)ethyl]naphthalen-2-ol
PubChem CID166761377
Molecular FormulaC33H26O
Molecular Weight438.57 g/mol
Exact Mass438.20
IUPAC Name1-[1-(1H-inden-1-yl)-1-(4-phenylphenyl)ethyl]naphthalen-2-ol
SMILESCC(c1ccc(-c2ccccc2)cc1)(c1c(O)ccc2ccccc12)C1C=Cc2ccccc21
InChIInChI=1S/C33H26O/c1-33(30-21-17-25-11-5-7-13-28(25)30,32-29-14-8-6-12-26(29)18-22-31(32)34)27-19-15-24(16-20-27)23-9-3-2-4-10-23/h2-22,30,34H,1H3
InChIKeyIRUHSBBDUHNWKD-UHFFFAOYSA-N
XLogP8.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 58.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol
CID 13354439
1-(1-cyclopenta-2,4-dien-1-yl-1-phenylethyl)-1H-indene
CID 139709796
1-[1-(7-hydroxynaphthalen-1-yl)-1-(4-phenylphenyl)ethyl]naphthalene-2,7-diol
CID 134202853
1,1'-biphenyl;1,4-diphenylbenzene;ethane;naphthalene;phenanthrene
CID 158841778
1-(2-fluoropropan-2-yl)-1H-indene
CID 139709792
1-[tris(1H-inden-1-yl)methyl]-1H-indene
CID 57113891
1,1'-biphenyl;naphthalene;phenanthrene
CID 157410235
[2-(1H-inden-1-yl)-2,2-diphenylethyl]-dimethylphosphane
CID 19033347
4-[1-(4-hydroxy-3-naphthalen-1-ylphenyl)-1-phenylethyl]-2-naphthalen-1-ylphenol
CID 139838348
2,2-bis(1H-inden-1-yl)propane-1,3-dithiol
CID 151956943
(3R)-3-[2-[(3R)-3H-cyclopenta[a]naphthalen-3-yl]propan-2-yl]-3H-cyclopenta[a]naphthalene
CID 101485883
1-[2-(1H-inden-1-yl)non-8-yn-2-yl]-1H-indene
CID 18927453

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-inden-1-yl)-1-(4-phenylphenyl)ethyl]naphthalen-2-ol?
The IUPAC name of 1-[1-(1H-inden-1-yl)-1-(4-phenylphenyl)ethyl]naphthalen-2-ol (CID 166761377) is 1-[1-(1H-inden-1-yl)-1-(4-phenylphenyl)ethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[1-(1H-inden-1-yl)-1-(4-phenylphenyl)ethyl]naphthalen-2-ol?
The canonical SMILES for 1-[1-(1H-inden-1-yl)-1-(4-phenylphenyl)ethyl]naphthalen-2-ol is CC(c1ccc(-c2ccccc2)cc1)(c1c(O)ccc2ccccc12)C1C=Cc2ccccc21.
What is the InChIKey of 1-[1-(1H-inden-1-yl)-1-(4-phenylphenyl)ethyl]naphthalen-2-ol?
The InChIKey is IRUHSBBDUHNWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26O/c1-33(30-21-17-25-11-5-7-13-28(25)30,32-29-14-8-6-12-26(29)18-22-31(32)34)27-19-15-24(16-20-27)23-9-3-2-4-10-23/h2-22,30,34H,1H3.
What are the key properties of 1-[1-(1H-inden-1-yl)-1-(4-phenylphenyl)ethyl]naphthalen-2-ol?
1-[1-(1H-inden-1-yl)-1-(4-phenylphenyl)ethyl]naphthalen-2-ol has a molecular weight of 438.57 g/mol, XLogP of 8.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-inden-1-yl)-1-(4-phenylphenyl)ethyl]naphthalen-2-ol is sourced from PubChem (CID 166761377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).