8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] — IUPAC name, SMILES, InChIKey & properties

Name: 8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]

8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] (PubChem CID 157485542) has the molecular formula C68H69N7OS2 and a molecular weight of 1064.48 g/mol. Its IUPAC name is 8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole].

Molecular Properties

Compound Name	8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]
PubChem CID	157485542
Molecular Formula	C68H69N7OS2
Molecular Weight	1064.48 g/mol
Exact Mass	1063.50
IUPAC Name	8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]
SMILES	C1=NC2(CC1)CCc1c(cccc1-c1cccs1)C2.C1=NC2(CC1)CCc1c(cccc1-c1ccoc1)C2.C1=NC2(CC1)CCc1c(cccc1-c1ccsc1)C2.CC1=NCC2(CCc3c(cccc3-c3cncnc3)C2)N1
InChI	InChI=1S/C17H18N4.C17H17NO.2C17H17NS/c1-12-20-10-17(21-12)6-5-16-13(7-17)3-2-4-15(16)14-8-18-11-19-9-14;1-3-13-11-17(7-2-9-18-17)8-5-16(13)15(4-1)14-6-10-19-12-14;1-4-13-12-17(8-3-10-18-17)9-7-14(13)15(5-1)16-6-2-11-19-16;1-3-13-11-17(7-2-9-18-17)8-5-16(13)15(4-1)14-6-10-19-12-14/h2-4,8-9,11H,5-7,10H2,1H3,(H,20,21);1,3-4,6,9-10,12H,2,5,7-8,11H2;1-2,4-6,10-11H,3,7-9,12H2;1,3-4,6,9-10,12H,2,5,7-8,11H2
InChIKey	BWRBHJMWAYFVKD-UHFFFAOYSA-N
XLogP	15.45
TPSA	100.39 Å²
H-Bond Donors	1
H-Bond Acceptors	10
Rotatable Bonds	4
Heavy Atoms	78
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1064.48
LogP ≤ 5	15.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Analyze 8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?

The IUPAC name of 8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] (CID 157485542) is 8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole].

What is the SMILES notation for 8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?

The canonical SMILES for 8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] is C1=NC2(CC1)CCc1c(cccc1-c1cccs1)C2.C1=NC2(CC1)CCc1c(cccc1-c1ccoc1)C2.C1=NC2(CC1)CCc1c(cccc1-c1ccsc1)C2.CC1=NCC2(CCc3c(cccc3-c3cncnc3)C2)N1.

What is the InChIKey of 8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?

The InChIKey is BWRBHJMWAYFVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4.C17H17NO.2C17H17NS/c1-12-20-10-17(21-12)6-5-16-13(7-17)3-2-4-15(16)14-8-18-11-19-9-14;1-3-13-11-17(7-2-9-18-17)8-5-16(13)15(4-1)14-6-10-19-12-14;1-4-13-12-17(8-3-10-18-17)9-7-14(13)15(5-1)16-6-2-11-19-16;1-3-13-11-17(7-2-9-18-17)8-5-16(13)15(4-1)14-6-10-19-12-14/h2-4,8-9,11H,5-7,10H2,1H3,(H,20,21);1,3-4,6,9-10,12H,2,5,7-8,11H2;1-2,4-6,10-11H,3,7-9,12H2;1,3-4,6,9-10,12H,2,5,7-8,11H2.

What are the key properties of 8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole]?

Where does this data come from?

All data for 8-(furan-3-yl)spiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];2-methyl-8'-pyrimidin-5-ylspiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene];8-thiophen-2-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole];8-thiophen-3-ylspiro[2,4-dihydro-1H-naphthalene-3,2'-3,4-dihydropyrrole] is sourced from PubChem (CID 157485542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).