9-(8-acridin-9-yldibenzofuran-2-yl)acridine;5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(1-benzofuran-2-yl)dibenzofuran;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran;2-(6-methyl-10b,10c-dihydropyren-1-yl)-8-naphthalen-1-yl-4a,9b-dihydrodibenzofuran;5-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)-1,10-phenanthroline;6-(8-quinolin-6-yl-5a,9a-dihydrodibenzofuran-2-yl)quinoline

C232H145N7O9S5 — CID 158693866

IUPAC9-(8-acridin-9-yldibenzofuran-2-yl)acridine;5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(1-benzofuran-2-yl)dibenzofuran;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran;2-(6-methyl-10b,10c-dihydropyren-1-yl)-8-naphthalen-1-yl-4a,9b-dihydrodibenzofuran;5-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)-1,10-phenanthroline;6-(8-quinolin-6-yl-5a,9a-dihydrodibenzofuran-2-yl)quinoline
SMILESC1=CC2Oc3ccc(-c4cc5cccnc5c5ncccc45)cc3C2C=C1c1ccc2ccc3cccc4ccc1c2c34.C1=CC2Oc3ccc(-c4ccc5ncccc5c4)cc3C2C=C1c1ccc2ncccc2c1.CC1=C2C=CC3=CC=C(C4=CC5c6cc(-c7cccc8ccccc78)ccc6OC5C=C4)C4=CC=C(C=C1)C2C34.Cn1ccc2cc(-c3ccc4oc5ccc(-c6cc7ccccc7s6)cc5c4c3)ccc21.c1ccc2c(-c3ccc4oc5ccc(-c6c7ccccc7nc7ccccc67)cc5c4c3)c3ccccc3nc2c1.c1ccc2oc(-c3ccc4oc5ccc(-c6cc7ccccc7o6)cc5c4c3)cc2c1.c1csc(-c2ccc(-c3ccc4oc5ccc(-c6ccc(-c7cccs7)s6)cc5c4c3)s2)c1
InChIInChI=1S/C40H24N2O.C39H28O.C38H22N2O.C30H20N2O.C29H19NOS.C28H16O3.C28H16OS4/c1-4-23-8-9-25-10-14-29(30-15-11-24(5-1)37(23)38(25)30)26-12-16-35-33(20-26)34-21-27(13-17-36(34)43-35)32-22-28-6-2-18-41-39(28)40-31(32)7-3-19-42-40;1-23-9-10-25-13-18-33-32(17-12-26-11-16-29(23)38(25)39(26)33)28-15-20-37-35(22-28)34-21-27(14-19-36(34)40-37)31-8-4-6-24-5-2-3-7-30(24)31;1-5-13-31-25(9-1)37(26-10-2-6-14-32(26)39-31)23-17-19-35-29(21-23)30-22-24(18-20-36(30)41-35)38-27-11-3-7-15-33(27)40-34-16-8-4-12-28(34)38;1-3-23-15-19(5-9-27(23)31-13-1)21-7-11-29-25(17-21)26-18-22(8-12-30(26)33-29)20-6-10-28-24(16-20)4-2-14-32-28;1-30-13-12-20-14-18(6-9-25(20)30)19-7-10-26-23(15-19)24-16-22(8-11-27(24)31-26)29-17-21-4-2-3-5-28(21)32-29;1-3-7-23-17(5-1)15-27(29-23)19-9-11-25-21(13-19)22-14-20(10-12-26(22)31-25)28-16-18-6-2-4-8-24(18)30-28;1-3-25(30-13-1)27-11-9-23(32-27)17-5-7-21-19(15-17)20-16-18(6-8-22(20)29-21)24-10-12-28(33-24)26-4-2-14-31-26/h1-22,33,35H;2-22,35,37-39H,1H3;1-22H;1-18,25,29H;2-17H,1H3;1-16H;1-16H
InChIKeyIGROVADKZVYYMH-UHFFFAOYSA-N
MW3335.09 g/mol
LogP63.92
Rot. Bonds16

About 9-(8-acridin-9-yldibenzofuran-2-yl)acridine;5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(1-benzofuran-2-yl)dibenzofuran;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran;2-(6-methyl-10b,10c-dihydropyren-1-yl)-8-naphthalen-1-yl-4a,9b-dihydrodibenzofuran;5-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)-1,10-phenanthroline;6-(8-quinolin-6-yl-5a,9a-dihydrodibenzofuran-2-yl)quinoline

9-(8-acridin-9-yldibenzofuran-2-yl)acridine;5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(1-benzofuran-2-yl)dibenzofuran;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran;2-(6-methyl-10b,10c-dihydropyren-1-yl)-8-naphthalen-1-yl-4a,9b-dihydrodibenzofuran;5-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)-1,10-phenanthroline;6-(8-quinolin-6-yl-5a,9a-dihydrodibenzofuran-2-yl)quinoline (PubChem CID 158693866) has the molecular formula C232H145N7O9S5 and a molecular weight of 3335.09 g/mol. Its IUPAC name is 9-(8-acridin-9-yldibenzofuran-2-yl)acridine;5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(1-benzofuran-2-yl)dibenzofuran;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran;2-(6-methyl-10b,10c-dihydropyren-1-yl)-8-naphthalen-1-yl-4a,9b-dihydrodibenzofuran;5-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)-1,10-phenanthroline;6-(8-quinolin-6-yl-5a,9a-dihydrodibenzofuran-2-yl)quinoline.

Molecular Properties

Compound Name9-(8-acridin-9-yldibenzofuran-2-yl)acridine;5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(1-benzofuran-2-yl)dibenzofuran;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran;2-(6-methyl-10b,10c-dihydropyren-1-yl)-8-naphthalen-1-yl-4a,9b-dihydrodibenzofuran;5-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)-1,10-phenanthroline;6-(8-quinolin-6-yl-5a,9a-dihydrodibenzofuran-2-yl)quinoline
PubChem CID158693866
Molecular FormulaC232H145N7O9S5
Molecular Weight3335.09 g/mol
Exact Mass3331.97
IUPAC Name9-(8-acridin-9-yldibenzofuran-2-yl)acridine;5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(1-benzofuran-2-yl)dibenzofuran;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran;2-(6-methyl-10b,10c-dihydropyren-1-yl)-8-naphthalen-1-yl-4a,9b-dihydrodibenzofuran;5-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)-1,10-phenanthroline;6-(8-quinolin-6-yl-5a,9a-dihydrodibenzofuran-2-yl)quinoline
SMILESC1=CC2Oc3ccc(-c4cc5cccnc5c5ncccc45)cc3C2C=C1c1ccc2ccc3cccc4ccc1c2c34.C1=CC2Oc3ccc(-c4ccc5ncccc5c4)cc3C2C=C1c1ccc2ncccc2c1.CC1=C2C=CC3=CC=C(C4=CC5c6cc(-c7cccc8ccccc78)ccc6OC5C=C4)C4=CC=C(C=C1)C2C34.Cn1ccc2cc(-c3ccc4oc5ccc(-c6cc7ccccc7s6)cc5c4c3)ccc21.c1ccc2c(-c3ccc4oc5ccc(-c6c7ccccc7nc7ccccc67)cc5c4c3)c3ccccc3nc2c1.c1ccc2oc(-c3ccc4oc5ccc(-c6cc7ccccc7o6)cc5c4c3)cc2c1.c1csc(-c2ccc(-c3ccc4oc5ccc(-c6ccc(-c7cccs7)s6)cc5c4c3)s2)c1
InChIInChI=1S/C40H24N2O.C39H28O.C38H22N2O.C30H20N2O.C29H19NOS.C28H16O3.C28H16OS4/c1-4-23-8-9-25-10-14-29(30-15-11-24(5-1)37(23)38(25)30)26-12-16-35-33(20-26)34-21-27(13-17-36(34)43-35)32-22-28-6-2-18-41-39(28)40-31(32)7-3-19-42-40;1-23-9-10-25-13-18-33-32(17-12-26-11-16-29(23)38(25)39(26)33)28-15-20-37-35(22-28)34-21-27(14-19-36(34)40-37)31-8-4-6-24-5-2-3-7-30(24)31;1-5-13-31-25(9-1)37(26-10-2-6-14-32(26)39-31)23-17-19-35-29(21-23)30-22-24(18-20-36(30)41-35)38-27-11-3-7-15-33(27)40-34-16-8-4-12-28(34)38;1-3-23-15-19(5-9-27(23)31-13-1)21-7-11-29-25(17-21)26-18-22(8-12-30(26)33-29)20-6-10-28-24(16-20)4-2-14-32-28;1-30-13-12-20-14-18(6-9-25(20)30)19-7-10-26-23(15-19)24-16-22(8-11-27(24)31-26)29-17-21-4-2-3-5-28(21)32-29;1-3-7-23-17(5-1)15-27(29-23)19-9-11-25-21(13-19)22-14-20(10-12-26(22)31-25)28-16-18-6-2-4-8-24(18)30-28;1-3-25(30-13-1)27-11-9-23(32-27)17-5-7-21-19(15-17)20-16-18(6-8-22(20)29-21)24-10-12-28(33-24)26-4-2-14-31-26/h1-22,33,35H;2-22,35,37-39H,1H3;1-22H;1-18,25,29H;2-17H,1H3;1-16H;1-16H
InChIKeyIGROVADKZVYYMH-UHFFFAOYSA-N
XLogP63.92
TPSA188.80 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds16
Heavy Atoms253
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003335.09
LogP ≤ 563.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-(8-acridin-9-yldibenzofuran-2-yl)acridine;5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(1-benzofuran-2-yl)dibenzofuran;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran;2-(6-methyl-10b,10c-dihydropyren-1-yl)-8-naphthalen-1-yl-4a,9b-dihydrodibenzofuran;5-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)-1,10-phenanthroline;6-(8-quinolin-6-yl-5a,9a-dihydrodibenzofuran-2-yl)quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(8-acridin-9-yldibenzofuran-2-yl)acridine;5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(1-benzofuran-2-yl)dibenzofuran;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran;2-(6-methyl-10b,10c-dihydropyren-1-yl)-8-naphthalen-1-yl-4a,9b-dihydrodibenzofuran;5-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)-1,10-phenanthroline;6-(8-quinolin-6-yl-5a,9a-dihydrodibenzofuran-2-yl)quinoline?
The IUPAC name of 9-(8-acridin-9-yldibenzofuran-2-yl)acridine;5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(1-benzofuran-2-yl)dibenzofuran;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran;2-(6-methyl-10b,10c-dihydropyren-1-yl)-8-naphthalen-1-yl-4a,9b-dihydrodibenzofuran;5-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)-1,10-phenanthroline;6-(8-quinolin-6-yl-5a,9a-dihydrodibenzofuran-2-yl)quinoline (CID 158693866) is 9-(8-acridin-9-yldibenzofuran-2-yl)acridine;5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(1-benzofuran-2-yl)dibenzofuran;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran;2-(6-methyl-10b,10c-dihydropyren-1-yl)-8-naphthalen-1-yl-4a,9b-dihydrodibenzofuran;5-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)-1,10-phenanthroline;6-(8-quinolin-6-yl-5a,9a-dihydrodibenzofuran-2-yl)quinoline.
What is the SMILES notation for 9-(8-acridin-9-yldibenzofuran-2-yl)acridine;5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(1-benzofuran-2-yl)dibenzofuran;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran;2-(6-methyl-10b,10c-dihydropyren-1-yl)-8-naphthalen-1-yl-4a,9b-dihydrodibenzofuran;5-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)-1,10-phenanthroline;6-(8-quinolin-6-yl-5a,9a-dihydrodibenzofuran-2-yl)quinoline?
The canonical SMILES for 9-(8-acridin-9-yldibenzofuran-2-yl)acridine;5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(1-benzofuran-2-yl)dibenzofuran;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran;2-(6-methyl-10b,10c-dihydropyren-1-yl)-8-naphthalen-1-yl-4a,9b-dihydrodibenzofuran;5-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)-1,10-phenanthroline;6-(8-quinolin-6-yl-5a,9a-dihydrodibenzofuran-2-yl)quinoline is C1=CC2Oc3ccc(-c4cc5cccnc5c5ncccc45)cc3C2C=C1c1ccc2ccc3cccc4ccc1c2c34.C1=CC2Oc3ccc(-c4ccc5ncccc5c4)cc3C2C=C1c1ccc2ncccc2c1.CC1=C2C=CC3=CC=C(C4=CC5c6cc(-c7cccc8ccccc78)ccc6OC5C=C4)C4=CC=C(C=C1)C2C34.Cn1ccc2cc(-c3ccc4oc5ccc(-c6cc7ccccc7s6)cc5c4c3)ccc21.c1ccc2c(-c3ccc4oc5ccc(-c6c7ccccc7nc7ccccc67)cc5c4c3)c3ccccc3nc2c1.c1ccc2oc(-c3ccc4oc5ccc(-c6cc7ccccc7o6)cc5c4c3)cc2c1.c1csc(-c2ccc(-c3ccc4oc5ccc(-c6ccc(-c7cccs7)s6)cc5c4c3)s2)c1.
What is the InChIKey of 9-(8-acridin-9-yldibenzofuran-2-yl)acridine;5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(1-benzofuran-2-yl)dibenzofuran;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran;2-(6-methyl-10b,10c-dihydropyren-1-yl)-8-naphthalen-1-yl-4a,9b-dihydrodibenzofuran;5-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)-1,10-phenanthroline;6-(8-quinolin-6-yl-5a,9a-dihydrodibenzofuran-2-yl)quinoline?
The InChIKey is IGROVADKZVYYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N2O.C39H28O.C38H22N2O.C30H20N2O.C29H19NOS.C28H16O3.C28H16OS4/c1-4-23-8-9-25-10-14-29(30-15-11-24(5-1)37(23)38(25)30)26-12-16-35-33(20-26)34-21-27(13-17-36(34)43-35)32-22-28-6-2-18-41-39(28)40-31(32)7-3-19-42-40;1-23-9-10-25-13-18-33-32(17-12-26-11-16-29(23)38(25)39(26)33)28-15-20-37-35(22-28)34-21-27(14-19-36(34)40-37)31-8-4-6-24-5-2-3-7-30(24)31;1-5-13-31-25(9-1)37(26-10-2-6-14-32(26)39-31)23-17-19-35-29(21-23)30-22-24(18-20-36(30)41-35)38-27-11-3-7-15-33(27)40-34-16-8-4-12-28(34)38;1-3-23-15-19(5-9-27(23)31-13-1)21-7-11-29-25(17-21)26-18-22(8-12-30(26)33-29)20-6-10-28-24(16-20)4-2-14-32-28;1-30-13-12-20-14-18(6-9-25(20)30)19-7-10-26-23(15-19)24-16-22(8-11-27(24)31-26)29-17-21-4-2-3-5-28(21)32-29;1-3-7-23-17(5-1)15-27(29-23)19-9-11-25-21(13-19)22-14-20(10-12-26(22)31-25)28-16-18-6-2-4-8-24(18)30-28;1-3-25(30-13-1)27-11-9-23(32-27)17-5-7-21-19(15-17)20-16-18(6-8-22(20)29-21)24-10-12-28(33-24)26-4-2-14-31-26/h1-22,33,35H;2-22,35,37-39H,1H3;1-22H;1-18,25,29H;2-17H,1H3;1-16H;1-16H.
What are the key properties of 9-(8-acridin-9-yldibenzofuran-2-yl)acridine;5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(1-benzofuran-2-yl)dibenzofuran;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran;2-(6-methyl-10b,10c-dihydropyren-1-yl)-8-naphthalen-1-yl-4a,9b-dihydrodibenzofuran;5-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)-1,10-phenanthroline;6-(8-quinolin-6-yl-5a,9a-dihydrodibenzofuran-2-yl)quinoline?
9-(8-acridin-9-yldibenzofuran-2-yl)acridine;5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(1-benzofuran-2-yl)dibenzofuran;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran;2-(6-methyl-10b,10c-dihydropyren-1-yl)-8-naphthalen-1-yl-4a,9b-dihydrodibenzofuran;5-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)-1,10-phenanthroline;6-(8-quinolin-6-yl-5a,9a-dihydrodibenzofuran-2-yl)quinoline has a molecular weight of 3335.09 g/mol, XLogP of 63.92, 16 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-acridin-9-yldibenzofuran-2-yl)acridine;5-[8-(1-benzothiophen-2-yl)dibenzofuran-2-yl]-1-methylindole;2,8-bis(1-benzofuran-2-yl)dibenzofuran;2,8-bis(5-thiophen-2-ylthiophen-2-yl)dibenzofuran;2-(6-methyl-10b,10c-dihydropyren-1-yl)-8-naphthalen-1-yl-4a,9b-dihydrodibenzofuran;5-(8-pyren-1-yl-5a,9a-dihydrodibenzofuran-2-yl)-1,10-phenanthroline;6-(8-quinolin-6-yl-5a,9a-dihydrodibenzofuran-2-yl)quinoline is sourced from PubChem (CID 158693866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).