26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;26-[8-(7,7-dimethylbenzo[g]fluoren-9-yl)dibenzothiophen-2-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzothiophen-2-yl)-3-oxaheptacyclo[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(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzothiophen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene

C230H132O4S4 — CID 164987665

About 26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;26-[8-(7,7-dimethylbenzo[g]fluoren-9-yl)dibenzothiophen-2-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzothiophen-2-yl)-3-oxaheptacyclo[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(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzothiophen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene

26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;26-[8-(7,7-dimethylbenzo[g]fluoren-9-yl)dibenzothiophen-2-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzothiophen-2-yl)-3-oxaheptacyclo[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(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzothiophen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene (PubChem CID 164987665) has the molecular formula C230H132O4S4 and a molecular weight of 3087.85 g/mol. Its IUPAC name is 26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;26-[8-(7,7-dimethylbenzo[g]fluoren-9-yl)dibenzothiophen-2-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzothiophen-2-yl)-3-oxaheptacyclo[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(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzothiophen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene.

Molecular Properties

• Compound Name: 26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;26-[8-(7,7-dimethylbenzo[g]fluoren-9-yl)dibenzothiophen-2-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzothiophen-2-yl)-3-oxaheptacyclo[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(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzothiophen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene
• PubChem CID: 164987665
• Molecular Formula: C230H132O4S4
• Molecular Weight: 3087.85 g/mol
• Exact Mass: 3084.90
• IUPAC Name: 26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;26-[8-(7,7-dimethylbenzo[g]fluoren-9-yl)dibenzothiophen-2-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzothiophen-2-yl)-3-oxaheptacyclo[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(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzothiophen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene
• SMILES: CC1(C)c2cc(-c3ccc4sc5ccc(-c6ccc7c(c6)c6ccccc6c6cc8oc9cc%10ccccc%10cc9c8cc76)cc5c4c3)ccc2-c2c1ccc1ccccc21.CC1(C)c2ccc(-c3ccc4sc5ccc(-c6ccc7c(c6)c6ccccc6c6ccc8oc9cc%10ccccc%10cc9c8c67)cc5c4c3)cc2-c2c1ccc1ccccc21.c1cc2c3c(cccc3c1)-c1cc(-c3ccc4sc5ccc(-c6ccc7c(c6)c6ccccc6c6cc8oc9ccc%10ccccc%10c9c8cc76)cc5c4c3)ccc1-2.c1ccc2c(c1)-c1cccc3c(-c4ccc5sc6ccc(-c7ccc8c(c7)c7ccccc7c7c8ccc8c7oc7ccc9ccccc9c78)cc6c5c4)ccc-2c13
• InChI: InChI=1S/2C59H36OS.2C56H30OS/c1-59(2)50-22-17-37(30-48(50)56-40-12-6-5-9-33(40)16-23-51(56)59)39-19-26-55-47(29-39)46-28-38(18-25-54(46)61-55)36-15-20-44-45(27-36)42-14-8-7-13-41(42)43-21-24-52-58(57(43)44)49-31-34-10-3-4-11-35(34)32-53(49)60-52;1-59(2)52-22-17-33-9-5-6-12-40(33)58(52)44-21-16-39(29-53(44)59)38-19-24-57-51(28-38)50-27-37(18-23-56(50)61-57)36-15-20-43-45(25-36)41-13-7-8-14-42(41)47-32-55-49(31-46(43)47)48-26-34-10-3-4-11-35(34)30-54(48)60-55;1-2-10-37-31(7-1)17-22-51-56(37)50-29-46-41-21-16-33(25-44(41)38-11-3-4-12-39(38)47(46)30-52(50)57-51)35-18-23-53-48(27-35)49-28-36(19-24-54(49)58-53)34-15-20-40-42-13-5-8-32-9-6-14-43(55(32)42)45(40)26-34;1-2-9-36-31(8-1)17-25-50-54(36)46-24-23-45-40-20-16-32(28-47(40)39-12-5-6-13-43(39)55(45)56(46)57-50)33-18-26-51-48(29-33)49-30-34(19-27-52(49)58-51)35-21-22-44-38-11-4-3-10-37(38)42-15-7-14-41(35)53(42)44/h2*3-32H,1-2H3;2*1-30H
• InChIKey: GJTAYDAFKZUCBE-UHFFFAOYSA-N
• XLogP: 68.12
• TPSA: 52.56 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 238
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3087.85
LogP ≤ 5	68.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;26-[8-(7,7-dimethylbenzo[g]fluoren-9-yl)dibenzothiophen-2-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzothiophen-2-yl)-3-oxaheptacyclo[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(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzothiophen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene?

The IUPAC name of 26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;26-[8-(7,7-dimethylbenzo[g]fluoren-9-yl)dibenzothiophen-2-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzothiophen-2-yl)-3-oxaheptacyclo[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(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzothiophen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene (CID 164987665) is 26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;26-[8-(7,7-dimethylbenzo[g]fluoren-9-yl)dibenzothiophen-2-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzothiophen-2-yl)-3-oxaheptacyclo[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(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzothiophen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene.

What is the SMILES notation for 26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;26-[8-(7,7-dimethylbenzo[g]fluoren-9-yl)dibenzothiophen-2-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzothiophen-2-yl)-3-oxaheptacyclo[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(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzothiophen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene?

The canonical SMILES for 26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;26-[8-(7,7-dimethylbenzo[g]fluoren-9-yl)dibenzothiophen-2-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzothiophen-2-yl)-3-oxaheptacyclo[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(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzothiophen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene is CC1(C)c2cc(-c3ccc4sc5ccc(-c6ccc7c(c6)c6ccccc6c6cc8oc9cc%10ccccc%10cc9c8cc76)cc5c4c3)ccc2-c2c1ccc1ccccc21.CC1(C)c2ccc(-c3ccc4sc5ccc(-c6ccc7c(c6)c6ccccc6c6ccc8oc9cc%10ccccc%10cc9c8c67)cc5c4c3)cc2-c2c1ccc1ccccc21.c1cc2c3c(cccc3c1)-c1cc(-c3ccc4sc5ccc(-c6ccc7c(c6)c6ccccc6c6cc8oc9ccc%10ccccc%10c9c8cc76)cc5c4c3)ccc1-2.c1ccc2c(c1)-c1cccc3c(-c4ccc5sc6ccc(-c7ccc8c(c7)c7ccccc7c7c8ccc8c7oc7ccc9ccccc9c78)cc6c5c4)ccc-2c13.

What is the InChIKey of 26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;26-[8-(7,7-dimethylbenzo[g]fluoren-9-yl)dibenzothiophen-2-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzothiophen-2-yl)-3-oxaheptacyclo[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(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzothiophen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene?

The InChIKey is GJTAYDAFKZUCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C59H36OS.2C56H30OS/c1-59(2)50-22-17-37(30-48(50)56-40-12-6-5-9-33(40)16-23-51(56)59)39-19-26-55-47(29-39)46-28-38(18-25-54(46)61-55)36-15-20-44-45(27-36)42-14-8-7-13-41(42)43-21-24-52-58(57(43)44)49-31-34-10-3-4-11-35(34)32-53(49)60-52;1-59(2)52-22-17-33-9-5-6-12-40(33)58(52)44-21-16-39(29-53(44)59)38-19-24-57-51(28-38)50-27-37(18-23-56(50)61-57)36-15-20-43-45(25-36)41-13-7-8-14-42(41)47-32-55-49(31-46(43)47)48-26-34-10-3-4-11-35(34)30-54(48)60-55;1-2-10-37-31(7-1)17-22-51-56(37)50-29-46-41-21-16-33(25-44(41)38-11-3-4-12-39(38)47(46)30-52(50)57-51)35-18-23-53-48(27-35)49-28-36(19-24-54(49)58-53)34-15-20-40-42-13-5-8-32-9-6-14-43(55(32)42)45(40)26-34;1-2-9-36-31(8-1)17-25-50-54(36)46-24-23-45-40-20-16-32(28-47(40)39-12-5-6-13-43(39)55(45)56(46)57-50)33-18-26-51-48(29-33)49-30-34(19-27-52(49)58-51)35-21-22-44-38-11-4-3-10-37(38)42-15-7-14-41(35)53(42)44/h2*3-32H,1-2H3;2*1-30H.

What are the key properties of 26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;26-[8-(7,7-dimethylbenzo[g]fluoren-9-yl)dibenzothiophen-2-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzothiophen-2-yl)-3-oxaheptacyclo[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(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzothiophen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene?

26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;26-[8-(7,7-dimethylbenzo[g]fluoren-9-yl)dibenzothiophen-2-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzothiophen-2-yl)-3-oxaheptacyclo[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(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzothiophen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene has a molecular weight of 3087.85 g/mol, XLogP of 68.12, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 26-[8-(7,7-dimethylbenzo[c]fluoren-10-yl)dibenzothiophen-2-yl]-13-oxaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaene;26-[8-(7,7-dimethylbenzo[g]fluoren-9-yl)dibenzothiophen-2-yl]-14-oxaheptacyclo[15.12.0.03,15.04,13.06,11.018,23.024,29]nonacosa-1,3(15),4,6,8,10,12,16,18,20,22,24(29),25,27-tetradecaene;21-(8-fluoranthen-3-yldibenzothiophen-2-yl)-3-oxaheptacyclo[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(23),19,21,24,26,28-tetradecaene;26-(8-fluoranthen-8-yldibenzothiophen-2-yl)-14-oxaheptacyclo[15.12.0.03,15.04,13.05,10.018,23.024,29]nonacosa-1,3(15),4(13),5,7,9,11,16,18,20,22,24(29),25,27-tetradecaene is sourced from PubChem (CID 164987665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).