2-(furan-2-yl)-4-naphthalen-1-yl-5-phenyl-3-thiophen-2-yl-1H-pyrrole

C28H19NOS — CID 141196751

IUPAC2-(furan-2-yl)-4-naphthalen-1-yl-5-phenyl-3-thiophen-2-yl-1H-pyrrole
SMILESc1ccc(-c2[nH]c(-c3ccco3)c(-c3cccs3)c2-c2cccc3ccccc23)cc1
InChIInChI=1S/C28H19NOS/c1-2-10-20(11-3-1)27-25(22-14-6-12-19-9-4-5-13-21(19)22)26(24-16-8-18-31-24)28(29-27)23-15-7-17-30-23/h1-18,29H
InChIKeyCKONAUONTIODDR-UHFFFAOYSA-N
MW417.53 g/mol
LogP8.49
Rot. Bonds4

About 2-(furan-2-yl)-4-naphthalen-1-yl-5-phenyl-3-thiophen-2-yl-1H-pyrrole

2-(furan-2-yl)-4-naphthalen-1-yl-5-phenyl-3-thiophen-2-yl-1H-pyrrole (PubChem CID 141196751) has the molecular formula C28H19NOS and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-naphthalen-1-yl-5-phenyl-3-thiophen-2-yl-1H-pyrrole.

Molecular Properties

Compound Name2-(furan-2-yl)-4-naphthalen-1-yl-5-phenyl-3-thiophen-2-yl-1H-pyrrole
PubChem CID141196751
Molecular FormulaC28H19NOS
Molecular Weight417.53 g/mol
Exact Mass417.12
IUPAC Name2-(furan-2-yl)-4-naphthalen-1-yl-5-phenyl-3-thiophen-2-yl-1H-pyrrole
SMILESc1ccc(-c2[nH]c(-c3ccco3)c(-c3cccs3)c2-c2cccc3ccccc23)cc1
InChIInChI=1S/C28H19NOS/c1-2-10-20(11-3-1)27-25(22-14-6-12-19-9-4-5-13-21(19)22)26(24-16-8-18-31-24)28(29-27)23-15-7-17-30-23/h1-18,29H
InChIKeyCKONAUONTIODDR-UHFFFAOYSA-N
XLogP8.49
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 58.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(1-benzofuran-3-yl)-6-(furan-2-yl)-5-naphthalen-1-yl-4-phenyl-3-thiophen-2-ylphenyl]-1-benzofuran
CID 141190760
2-(10-naphthalen-1-ylanthracen-9-yl)thiophene
CID 89341887
2-phenanthren-1-ylfuran
CID 142748745
1-[10-(furan-2-yl)anthracen-9-yl]-8-(10-thiophen-2-ylanthracen-9-yl)dibenzofuran
CID 166706189
2-(furan-2-yl)-5-thiophen-2-yl-1H-pyrrole
CID 126723370
2-[3-(1-benzofuran-3-yl)-5-(furan-2-yl)-6-naphthalen-1-yl-2-thiophen-2-yl-1-benzothiophen-4-yl]-1-benzofuran
CID 141190757
2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene
CID 71444357
2-naphthalen-1-yl-5-(2-phenyl-1H-indol-3-yl)-1,3,4-oxadiazole
CID 136746089
2-(furan-2-yl)-4-thiophen-2-yl-1,3-thiazole
CID 6472219
3-(furan-2-yl)-2-thiophen-2-ylchromen-4-one
CID 141451140
2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene;3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene
CID 157493186
2,5-dinaphthalen-1-yl-3,4-diphenylthiophene
CID 23626359

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-naphthalen-1-yl-5-phenyl-3-thiophen-2-yl-1H-pyrrole?
The IUPAC name of 2-(furan-2-yl)-4-naphthalen-1-yl-5-phenyl-3-thiophen-2-yl-1H-pyrrole (CID 141196751) is 2-(furan-2-yl)-4-naphthalen-1-yl-5-phenyl-3-thiophen-2-yl-1H-pyrrole.
What is the SMILES notation for 2-(furan-2-yl)-4-naphthalen-1-yl-5-phenyl-3-thiophen-2-yl-1H-pyrrole?
The canonical SMILES for 2-(furan-2-yl)-4-naphthalen-1-yl-5-phenyl-3-thiophen-2-yl-1H-pyrrole is c1ccc(-c2[nH]c(-c3ccco3)c(-c3cccs3)c2-c2cccc3ccccc23)cc1.
What is the InChIKey of 2-(furan-2-yl)-4-naphthalen-1-yl-5-phenyl-3-thiophen-2-yl-1H-pyrrole?
The InChIKey is CKONAUONTIODDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19NOS/c1-2-10-20(11-3-1)27-25(22-14-6-12-19-9-4-5-13-21(19)22)26(24-16-8-18-31-24)28(29-27)23-15-7-17-30-23/h1-18,29H.
What are the key properties of 2-(furan-2-yl)-4-naphthalen-1-yl-5-phenyl-3-thiophen-2-yl-1H-pyrrole?
2-(furan-2-yl)-4-naphthalen-1-yl-5-phenyl-3-thiophen-2-yl-1H-pyrrole has a molecular weight of 417.53 g/mol, XLogP of 8.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-naphthalen-1-yl-5-phenyl-3-thiophen-2-yl-1H-pyrrole is sourced from PubChem (CID 141196751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).