2-anthracen-2-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-anthracen-9-yl-8-(13-thiaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran;2-naphthalen-1-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-naphthalen-2-yl-8-(14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran

C208H116O4S4 — CID 164957039

About 2-anthracen-2-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-anthracen-9-yl-8-(13-thiaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran;2-naphthalen-1-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-naphthalen-2-yl-8-(14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran

2-anthracen-2-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-anthracen-9-yl-8-(13-thiaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran;2-naphthalen-1-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-naphthalen-2-yl-8-(14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran (PubChem CID 164957039) has the molecular formula C208H116O4S4 and a molecular weight of 2807.48 g/mol. Its IUPAC name is 2-anthracen-2-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-anthracen-9-yl-8-(13-thiaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran;2-naphthalen-1-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-naphthalen-2-yl-8-(14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran.

Molecular Properties

• Compound Name: 2-anthracen-2-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-anthracen-9-yl-8-(13-thiaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran;2-naphthalen-1-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-naphthalen-2-yl-8-(14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran
• PubChem CID: 164957039
• Molecular Formula: C208H116O4S4
• Molecular Weight: 2807.48 g/mol
• Exact Mass: 2804.78
• IUPAC Name: 2-anthracen-2-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-anthracen-9-yl-8-(13-thiaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran;2-naphthalen-1-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-naphthalen-2-yl-8-(14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran
• SMILES: c1ccc2c(-c3ccc4oc5ccc(-c6ccc7c(c6)c6ccccc6c6c7ccc7sc8ccc9ccccc9c8c76)cc5c4c3)c3ccccc3cc2c1.c1ccc2c(-c3ccc4oc5ccc(-c6ccc7c(c6)c6ccccc6c6ccc8c(sc9ccc%10ccccc%10c98)c67)cc5c4c3)cccc2c1.c1ccc2cc(-c3ccc4oc5ccc(-c6ccc7c(c6)c6ccccc6c6cc8c(cc76)sc6ccc7ccccc7c68)cc5c4c3)ccc2c1.c1ccc2cc3cc(-c4ccc5oc6ccc(-c7ccc8c(c7)c7ccccc7c7ccc9c%10cc%11ccccc%11cc%10sc9c78)cc6c5c4)ccc3cc2c1
• InChI: InChI=1S/2C54H30OS.2C50H28OS/c1-4-12-37-31(9-1)20-25-49-53(37)54-50(56-49)26-22-43-41-21-17-32(28-44(41)40-15-7-8-16-42(40)52(43)54)33-18-23-47-45(29-33)46-30-36(19-24-48(46)55-47)51-38-13-5-2-10-34(38)27-35-11-3-6-14-39(35)51;1-2-8-32-24-40-25-35(13-14-36(40)23-31(32)7-1)38-16-21-50-47(27-38)48-28-39(17-22-51(48)55-50)37-15-18-44-46(26-37)42-12-6-5-11-41(42)43-19-20-45-49-29-33-9-3-4-10-34(33)30-52(49)56-54(45)53(43)44;1-3-11-34-29(8-1)10-7-15-35(34)33-18-24-46-44(28-33)43-27-32(17-23-45(43)51-46)31-16-20-40-42(26-31)38-14-6-5-13-37(38)39-21-22-41-48-36-12-4-2-9-30(36)19-25-47(48)52-50(41)49(39)40;1-2-9-31-23-32(14-13-29(31)7-1)34-16-20-46-43(25-34)44-26-35(17-21-47(44)51-46)33-15-19-39-40(24-33)37-11-5-6-12-38(37)41-27-45-49(28-42(39)41)52-48-22-18-30-8-3-4-10-36(30)50(45)48/h2*1-30H;2*1-28H
• InChIKey: BHVKOOSGXKNVFN-UHFFFAOYSA-N
• XLogP: 62.52
• TPSA: 52.56 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2807.48
LogP ≤ 5	62.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-anthracen-2-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-anthracen-9-yl-8-(13-thiaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran;2-naphthalen-1-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-naphthalen-2-yl-8-(14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran?

The IUPAC name of 2-anthracen-2-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-anthracen-9-yl-8-(13-thiaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran;2-naphthalen-1-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-naphthalen-2-yl-8-(14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran (CID 164957039) is 2-anthracen-2-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-anthracen-9-yl-8-(13-thiaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran;2-naphthalen-1-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-naphthalen-2-yl-8-(14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran.

What is the SMILES notation for 2-anthracen-2-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-anthracen-9-yl-8-(13-thiaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran;2-naphthalen-1-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-naphthalen-2-yl-8-(14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran?

The canonical SMILES for 2-anthracen-2-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-anthracen-9-yl-8-(13-thiaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran;2-naphthalen-1-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-naphthalen-2-yl-8-(14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran is c1ccc2c(-c3ccc4oc5ccc(-c6ccc7c(c6)c6ccccc6c6c7ccc7sc8ccc9ccccc9c8c76)cc5c4c3)c3ccccc3cc2c1.c1ccc2c(-c3ccc4oc5ccc(-c6ccc7c(c6)c6ccccc6c6ccc8c(sc9ccc%10ccccc%10c98)c67)cc5c4c3)cccc2c1.c1ccc2cc(-c3ccc4oc5ccc(-c6ccc7c(c6)c6ccccc6c6cc8c(cc76)sc6ccc7ccccc7c68)cc5c4c3)ccc2c1.c1ccc2cc3cc(-c4ccc5oc6ccc(-c7ccc8c(c7)c7ccccc7c7ccc9c%10cc%11ccccc%11cc%10sc9c78)cc6c5c4)ccc3cc2c1.

What is the InChIKey of 2-anthracen-2-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-anthracen-9-yl-8-(13-thiaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran;2-naphthalen-1-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-naphthalen-2-yl-8-(14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran?

The InChIKey is BHVKOOSGXKNVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C54H30OS.2C50H28OS/c1-4-12-37-31(9-1)20-25-49-53(37)54-50(56-49)26-22-43-41-21-17-32(28-44(41)40-15-7-8-16-42(40)52(43)54)33-18-23-47-45(29-33)46-30-36(19-24-48(46)55-47)51-38-13-5-2-10-34(38)27-35-11-3-6-14-39(35)51;1-2-8-32-24-40-25-35(13-14-36(40)23-31(32)7-1)38-16-21-50-47(27-38)48-28-39(17-22-51(48)55-50)37-15-18-44-46(26-37)42-12-6-5-11-41(42)43-19-20-45-49-29-33-9-3-4-10-34(33)30-52(49)56-54(45)53(43)44;1-3-11-34-29(8-1)10-7-15-35(34)33-18-24-46-44(28-33)43-27-32(17-23-45(43)51-46)31-16-20-40-42(26-31)38-14-6-5-13-37(38)39-21-22-41-48-36-12-4-2-9-30(36)19-25-47(48)52-50(41)49(39)40;1-2-9-31-23-32(14-13-29(31)7-1)34-16-20-46-43(25-34)44-26-35(17-21-47(44)51-46)33-15-19-39-40(24-33)37-11-5-6-12-38(37)41-27-45-49(28-42(39)41)52-48-22-18-30-8-3-4-10-36(30)50(45)48/h2*1-30H;2*1-28H.

What are the key properties of 2-anthracen-2-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-anthracen-9-yl-8-(13-thiaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran;2-naphthalen-1-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-naphthalen-2-yl-8-(14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran?

2-anthracen-2-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-anthracen-9-yl-8-(13-thiaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran;2-naphthalen-1-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-naphthalen-2-yl-8-(14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran has a molecular weight of 2807.48 g/mol, XLogP of 62.52, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-anthracen-2-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.06,11.018,23.024,29]nonacosa-1(17),2(14),4,6,8,10,12,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-anthracen-9-yl-8-(13-thiaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran;2-naphthalen-1-yl-8-(3-thiaheptacyclo[15.12.0.02,14.04,13.07,12.018,23.024,29]nonacosa-1(17),2(14),4(13),5,7,9,11,15,18,20,22,24(29),25,27-tetradecaen-26-yl)dibenzofuran;2-naphthalen-2-yl-8-(14-thiaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18(23),19,21,24,26,28-tetradecaen-21-yl)dibenzofuran is sourced from PubChem (CID 164957039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).