3-methyl-2,5-dinaphthalen-1-yl-4-phenylfuran

C31H22O — CID 167273811

IUPAC3-methyl-2,5-dinaphthalen-1-yl-4-phenylfuran
SMILESCc1c(-c2cccc3ccccc23)oc(-c2cccc3ccccc23)c1-c1ccccc1
InChIInChI=1S/C31H22O/c1-21-29(24-13-3-2-4-14-24)31(28-20-10-16-23-12-6-8-18-26(23)28)32-30(21)27-19-9-15-22-11-5-7-17-25(22)27/h2-20H,1H3
InChIKeyUHJCKOPNFPTRGG-UHFFFAOYSA-N
MW410.52 g/mol
LogP8.90
Rot. Bonds3

About 3-methyl-2,5-dinaphthalen-1-yl-4-phenylfuran

3-methyl-2,5-dinaphthalen-1-yl-4-phenylfuran (PubChem CID 167273811) has the molecular formula C31H22O and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-methyl-2,5-dinaphthalen-1-yl-4-phenylfuran.

Molecular Properties

Compound Name3-methyl-2,5-dinaphthalen-1-yl-4-phenylfuran
PubChem CID167273811
Molecular FormulaC31H22O
Molecular Weight410.52 g/mol
Exact Mass410.17
IUPAC Name3-methyl-2,5-dinaphthalen-1-yl-4-phenylfuran
SMILESCc1c(-c2cccc3ccccc23)oc(-c2cccc3ccccc23)c1-c1ccccc1
InChIInChI=1S/C31H22O/c1-21-29(24-13-3-2-4-14-24)31(28-20-10-16-23-12-6-8-18-26(23)28)32-30(21)27-19-9-15-22-11-5-7-17-25(22)27/h2-20H,1H3
InChIKeyUHJCKOPNFPTRGG-UHFFFAOYSA-N
XLogP8.90
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-dinaphthalen-1-yl-3,4-diphenylthiophene
CID 23626359
4,4,5,5-tetramethyl-2-(2-naphthalen-1-yl-3-phenyl-1-benzofuran-6-yl)-1,3,2-dioxaborolane
CID 177271918
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
4,8-bis(4-naphthalen-1-ylphenyl)-2,3,6,7-tetraphenylfuro[2,3-f][1]benzofuran
CID 58160893
2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-3-phenyl-1-benzofuran
CID 121336223
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
5-methyl-4-naphthalen-1-yl-2-phenyl-1,3-oxazole
CID 42611623
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
6-(10-naphthalen-1-ylanthracen-9-yl)-7-phenyl-15-oxatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene
CID 177264874
4-(10-methylanthracen-9-yl)-7-phenylbenzo[a]anthracene
CID 123622975
2-naphthalen-1-yl-7-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthrene
CID 59638737
2-naphthalen-1-yl-4-phenyl-6-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,3,5-triazine
CID 146890499

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,5-dinaphthalen-1-yl-4-phenylfuran?
The IUPAC name of 3-methyl-2,5-dinaphthalen-1-yl-4-phenylfuran (CID 167273811) is 3-methyl-2,5-dinaphthalen-1-yl-4-phenylfuran.
What is the SMILES notation for 3-methyl-2,5-dinaphthalen-1-yl-4-phenylfuran?
The canonical SMILES for 3-methyl-2,5-dinaphthalen-1-yl-4-phenylfuran is Cc1c(-c2cccc3ccccc23)oc(-c2cccc3ccccc23)c1-c1ccccc1.
What is the InChIKey of 3-methyl-2,5-dinaphthalen-1-yl-4-phenylfuran?
The InChIKey is UHJCKOPNFPTRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22O/c1-21-29(24-13-3-2-4-14-24)31(28-20-10-16-23-12-6-8-18-26(23)28)32-30(21)27-19-9-15-22-11-5-7-17-25(22)27/h2-20H,1H3.
What are the key properties of 3-methyl-2,5-dinaphthalen-1-yl-4-phenylfuran?
3-methyl-2,5-dinaphthalen-1-yl-4-phenylfuran has a molecular weight of 410.52 g/mol, XLogP of 8.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,5-dinaphthalen-1-yl-4-phenylfuran is sourced from PubChem (CID 167273811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).