2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzofuro[3,2-b]indole;2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzothiolo[3,2-b]indole;7-(5-methylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzothiole

C150H160N2O3S9 — CID 157396560

IUPAC2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzofuro[3,2-b]indole;2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzothiolo[3,2-b]indole;7-(5-methylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzothiole
SMILESCCCCCCCCCCCc1ccc(-c2ccc3c(c2)Cc2c-3oc3ccccc23)s1.CCCCCCCCCCCc1ccc(-c2ccc3c(c2)Cc2c-3sc3ccccc23)s1.CCCCCCc1ccc(-c2ccc3c(c2)oc2c4ccc(-c5ccc(CCCCCC)s5)cc4n(C)c32)s1.CCCCCCc1ccc(-c2ccc3c(c2)sc2c4ccc(-c5ccc(CCCCCC)s5)cc4n(C)c32)s1.Cc1ccc(-c2ccc3c4c(oc3c2)-c2ccccc2C4)s1
InChIInChI=1S/C35H39NOS2.C35H39NS3.C30H34OS.C30H34S2.C20H14OS/c1-4-6-8-10-12-26-16-20-32(38-26)24-14-18-28-30(22-24)36(3)34-29-19-15-25(23-31(29)37-35(28)34)33-21-17-27(39-33)13-11-9-7-5-2;1-4-6-8-10-12-26-16-20-31(37-26)24-14-18-28-30(22-24)36(3)34-29-19-15-25(23-33(29)39-35(28)34)32-21-17-27(38-32)13-11-9-7-5-2;1-2-3-4-5-6-7-8-9-10-13-24-17-19-29(32-24)22-16-18-25-23(20-22)21-27-26-14-11-12-15-28(26)31-30(25)27;1-2-3-4-5-6-7-8-9-10-13-24-17-19-28(31-24)22-16-18-25-23(20-22)21-27-26-14-11-12-15-29(26)32-30(25)27;1-12-6-9-19(22-12)14-7-8-16-17-10-13-4-2-3-5-15(13)20(17)21-18(16)11-14/h2*14-23H,4-13H2,1-3H3;2*11-12,14-20H,2-10,13,21H2,1H3;2-9,11H,10H2,1H3
InChIKeyBMQGCVPAIQBFKP-UHFFFAOYSA-N
MW2327.54 g/mol
LogP50.15
Rot. Bonds47

About 2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzofuro[3,2-b]indole;2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzothiolo[3,2-b]indole;7-(5-methylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzothiole

2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzofuro[3,2-b]indole;2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzothiolo[3,2-b]indole;7-(5-methylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzothiole (PubChem CID 157396560) has the molecular formula C150H160N2O3S9 and a molecular weight of 2327.54 g/mol. Its IUPAC name is 2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzofuro[3,2-b]indole;2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzothiolo[3,2-b]indole;7-(5-methylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzothiole.

Molecular Properties

Compound Name2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzofuro[3,2-b]indole;2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzothiolo[3,2-b]indole;7-(5-methylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzothiole
PubChem CID157396560
Molecular FormulaC150H160N2O3S9
Molecular Weight2327.54 g/mol
Exact Mass2324.99
IUPAC Name2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzofuro[3,2-b]indole;2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzothiolo[3,2-b]indole;7-(5-methylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzothiole
SMILESCCCCCCCCCCCc1ccc(-c2ccc3c(c2)Cc2c-3oc3ccccc23)s1.CCCCCCCCCCCc1ccc(-c2ccc3c(c2)Cc2c-3sc3ccccc23)s1.CCCCCCc1ccc(-c2ccc3c(c2)oc2c4ccc(-c5ccc(CCCCCC)s5)cc4n(C)c32)s1.CCCCCCc1ccc(-c2ccc3c(c2)sc2c4ccc(-c5ccc(CCCCCC)s5)cc4n(C)c32)s1.Cc1ccc(-c2ccc3c4c(oc3c2)-c2ccccc2C4)s1
InChIInChI=1S/C35H39NOS2.C35H39NS3.C30H34OS.C30H34S2.C20H14OS/c1-4-6-8-10-12-26-16-20-32(38-26)24-14-18-28-30(22-24)36(3)34-29-19-15-25(23-31(29)37-35(28)34)33-21-17-27(39-33)13-11-9-7-5-2;1-4-6-8-10-12-26-16-20-31(37-26)24-14-18-28-30(22-24)36(3)34-29-19-15-25(23-33(29)39-35(28)34)32-21-17-27(38-32)13-11-9-7-5-2;1-2-3-4-5-6-7-8-9-10-13-24-17-19-29(32-24)22-16-18-25-23(20-22)21-27-26-14-11-12-15-28(26)31-30(25)27;1-2-3-4-5-6-7-8-9-10-13-24-17-19-28(31-24)22-16-18-25-23(20-22)21-27-26-14-11-12-15-29(26)32-30(25)27;1-12-6-9-19(22-12)14-7-8-16-17-10-13-4-2-3-5-15(13)20(17)21-18(16)11-14/h2*14-23H,4-13H2,1-3H3;2*11-12,14-20H,2-10,13,21H2,1H3;2-9,11H,10H2,1H3
InChIKeyBMQGCVPAIQBFKP-UHFFFAOYSA-N
XLogP50.15
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds47
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002327.54
LogP ≤ 550.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzofuro[3,2-b]indole;2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzothiolo[3,2-b]indole;7-(5-methylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzothiole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzofuro[3,2-b]indole;2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzothiolo[3,2-b]indole;7-(5-methylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzothiole?
The IUPAC name of 2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzofuro[3,2-b]indole;2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzothiolo[3,2-b]indole;7-(5-methylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzothiole (CID 157396560) is 2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzofuro[3,2-b]indole;2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzothiolo[3,2-b]indole;7-(5-methylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzothiole.
What is the SMILES notation for 2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzofuro[3,2-b]indole;2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzothiolo[3,2-b]indole;7-(5-methylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzothiole?
The canonical SMILES for 2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzofuro[3,2-b]indole;2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzothiolo[3,2-b]indole;7-(5-methylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzothiole is CCCCCCCCCCCc1ccc(-c2ccc3c(c2)Cc2c-3oc3ccccc23)s1.CCCCCCCCCCCc1ccc(-c2ccc3c(c2)Cc2c-3sc3ccccc23)s1.CCCCCCc1ccc(-c2ccc3c(c2)oc2c4ccc(-c5ccc(CCCCCC)s5)cc4n(C)c32)s1.CCCCCCc1ccc(-c2ccc3c(c2)sc2c4ccc(-c5ccc(CCCCCC)s5)cc4n(C)c32)s1.Cc1ccc(-c2ccc3c4c(oc3c2)-c2ccccc2C4)s1.
What is the InChIKey of 2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzofuro[3,2-b]indole;2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzothiolo[3,2-b]indole;7-(5-methylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzothiole?
The InChIKey is BMQGCVPAIQBFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39NOS2.C35H39NS3.C30H34OS.C30H34S2.C20H14OS/c1-4-6-8-10-12-26-16-20-32(38-26)24-14-18-28-30(22-24)36(3)34-29-19-15-25(23-31(29)37-35(28)34)33-21-17-27(39-33)13-11-9-7-5-2;1-4-6-8-10-12-26-16-20-31(37-26)24-14-18-28-30(22-24)36(3)34-29-19-15-25(23-33(29)39-35(28)34)32-21-17-27(38-32)13-11-9-7-5-2;1-2-3-4-5-6-7-8-9-10-13-24-17-19-29(32-24)22-16-18-25-23(20-22)21-27-26-14-11-12-15-28(26)31-30(25)27;1-2-3-4-5-6-7-8-9-10-13-24-17-19-28(31-24)22-16-18-25-23(20-22)21-27-26-14-11-12-15-29(26)32-30(25)27;1-12-6-9-19(22-12)14-7-8-16-17-10-13-4-2-3-5-15(13)20(17)21-18(16)11-14/h2*14-23H,4-13H2,1-3H3;2*11-12,14-20H,2-10,13,21H2,1H3;2-9,11H,10H2,1H3.
What are the key properties of 2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzofuro[3,2-b]indole;2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzothiolo[3,2-b]indole;7-(5-methylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzothiole?
2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzofuro[3,2-b]indole;2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzothiolo[3,2-b]indole;7-(5-methylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzothiole has a molecular weight of 2327.54 g/mol, XLogP of 50.15, 47 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzofuro[3,2-b]indole;2,7-bis(5-hexylthiophen-2-yl)-10-methyl-[1]benzothiolo[3,2-b]indole;7-(5-methylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzofuran;2-(5-undecylthiophen-2-yl)-10H-indeno[1,2-b][1]benzothiole is sourced from PubChem (CID 157396560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).