2-[1-(3,3-diphenyl-2H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol

C34H28O2 — CID 175157433

IUPAC2-[1-(3,3-diphenyl-2H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol
SMILESOCCOc1ccc2ccccc2c1C1=c2ccccc2=CC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C34H28O2/c35-21-22-36-32-20-19-25-11-7-10-18-30(25)33(32)31-24-34(27-13-3-1-4-14-27,28-15-5-2-6-16-28)23-26-12-8-9-17-29(26)31/h1-20,23,35H,21-22,24H2
InChIKeyMAHNZLDKBUBLAP-UHFFFAOYSA-N
MW468.60 g/mol
LogP5.58
Rot. Bonds6

About 2-[1-(3,3-diphenyl-2H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol

2-[1-(3,3-diphenyl-2H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol (PubChem CID 175157433) has the molecular formula C34H28O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 2-[1-(3,3-diphenyl-2H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(3,3-diphenyl-2H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol
PubChem CID175157433
Molecular FormulaC34H28O2
Molecular Weight468.60 g/mol
Exact Mass468.21
IUPAC Name2-[1-(3,3-diphenyl-2H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol
SMILESOCCOc1ccc2ccccc2c1C1=c2ccccc2=CC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C34H28O2/c35-21-22-36-32-20-19-25-11-7-10-18-30(25)33(32)31-24-34(27-13-3-1-4-14-27,28-15-5-2-6-16-28)23-26-12-8-9-17-29(26)31/h1-20,23,35H,21-22,24H2
InChIKeyMAHNZLDKBUBLAP-UHFFFAOYSA-N
XLogP5.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Propranolol glycol
CID 37369
2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
Benzo(kl)xanthene
CID 67456
((3-(sec-Butyl)-4-(decyloxy)phenyl)methanetriyl)tribenzene
CID 129318102
(R)-(+)-2'-Methoxy-(1,1'-binaphthalen)-2-ol
CID 318597
2-(2-Naphthoxy)ethanol
CID 7131
Terphenyl scaffold, 29
CID 10097991
2-Methoxy-1-[(2-methoxynaphthalen-1-yl)methyl]naphthalene
CID 96091
9,9-Bis[4-(2-hydroxyethoxy)phenyl]fluorene
CID 3764404
2,8-Dimethylnaphtho[3,2,1-kl]xanthene
CID 5052385
3H-Naphtho[2,1-b]pyran, 3,3-diphenyl-
CID 3104870
Propranolol glycol, (-)-
CID 6604764

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3-diphenyl-2H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol?
The IUPAC name of 2-[1-(3,3-diphenyl-2H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol (CID 175157433) is 2-[1-(3,3-diphenyl-2H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol.
What is the SMILES notation for 2-[1-(3,3-diphenyl-2H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol?
The canonical SMILES for 2-[1-(3,3-diphenyl-2H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol is OCCOc1ccc2ccccc2c1C1=c2ccccc2=CC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 2-[1-(3,3-diphenyl-2H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol?
The InChIKey is MAHNZLDKBUBLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28O2/c35-21-22-36-32-20-19-25-11-7-10-18-30(25)33(32)31-24-34(27-13-3-1-4-14-27,28-15-5-2-6-16-28)23-26-12-8-9-17-29(26)31/h1-20,23,35H,21-22,24H2.
What are the key properties of 2-[1-(3,3-diphenyl-2H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol?
2-[1-(3,3-diphenyl-2H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol has a molecular weight of 468.60 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3-diphenyl-2H-naphthalen-1-yl)naphthalen-2-yl]oxyethanol is sourced from PubChem (CID 175157433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).