18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2,4,6,8,10,13,15,17,19,21,23,25,27(31),28-pentadecaene;3,10-diphenyl-22-thiaheptacyclo[13.10.2.02,11.04,9.012,26.016,21.023,27]heptacosa-1(25),2,4,6,8,10,12(26),13,15(27),16,18,20,23-tridecaene;6-naphthalen-1-yl-18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2(11),3,5,7,9,13,15,17,19,21,23,25,27(31),28-pentadecaene

C132H76O2S — CID 160900833

About 18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2,4,6,8,10,13,15,17,19,21,23,25,27(31),28-pentadecaene;3,10-diphenyl-22-thiaheptacyclo[13.10.2.02,11.04,9.012,26.016,21.023,27]heptacosa-1(25),2,4,6,8,10,12(26),13,15(27),16,18,20,23-tridecaene;6-naphthalen-1-yl-18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2(11),3,5,7,9,13,15,17,19,21,23,25,27(31),28-pentadecaene

18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2,4,6,8,10,13,15,17,19,21,23,25,27(31),28-pentadecaene;3,10-diphenyl-22-thiaheptacyclo[13.10.2.02,11.04,9.012,26.016,21.023,27]heptacosa-1(25),2,4,6,8,10,12(26),13,15(27),16,18,20,23-tridecaene;6-naphthalen-1-yl-18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2(11),3,5,7,9,13,15,17,19,21,23,25,27(31),28-pentadecaene (PubChem CID 160900833) has the molecular formula C132H76O2S and a molecular weight of 1726.12 g/mol. Its IUPAC name is 18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2,4,6,8,10,13,15,17,19,21,23,25,27(31),28-pentadecaene;3,10-diphenyl-22-thiaheptacyclo[13.10.2.02,11.04,9.012,26.016,21.023,27]heptacosa-1(25),2,4,6,8,10,12(26),13,15(27),16,18,20,23-tridecaene;6-naphthalen-1-yl-18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2(11),3,5,7,9,13,15,17,19,21,23,25,27(31),28-pentadecaene.

Molecular Properties

• Compound Name: 18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2,4,6,8,10,13,15,17,19,21,23,25,27(31),28-pentadecaene;3,10-diphenyl-22-thiaheptacyclo[13.10.2.02,11.04,9.012,26.016,21.023,27]heptacosa-1(25),2,4,6,8,10,12(26),13,15(27),16,18,20,23-tridecaene;6-naphthalen-1-yl-18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2(11),3,5,7,9,13,15,17,19,21,23,25,27(31),28-pentadecaene
• PubChem CID: 160900833
• Molecular Formula: C132H76O2S
• Molecular Weight: 1726.12 g/mol
• Exact Mass: 1724.56
• IUPAC Name: 18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2,4,6,8,10,13,15,17,19,21,23,25,27(31),28-pentadecaene;3,10-diphenyl-22-thiaheptacyclo[13.10.2.02,11.04,9.012,26.016,21.023,27]heptacosa-1(25),2,4,6,8,10,12(26),13,15(27),16,18,20,23-tridecaene;6-naphthalen-1-yl-18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2(11),3,5,7,9,13,15,17,19,21,23,25,27(31),28-pentadecaene
• SMILES: c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c4ccc5c6cc7cc(-c8cccc9ccccc89)ccc7cc6oc6ccc(c23)c4c65)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c4ccc5c6cc7ccccc7cc6oc6ccc(c23)c4c65)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c4ccc5c6ccccc6sc6ccc(c23)c4c65)cc1
• InChI: InChI=1S/C52H30O.C42H24O.C38H22S/c1-3-13-32(14-4-1)47-39-19-9-10-20-40(39)48(33-15-5-2-6-16-33)52-43-26-27-45-50-41(24-25-42(49(43)50)51(47)52)44-29-36-28-35(23-22-34(36)30-46(44)53-45)38-21-11-17-31-12-7-8-18-37(31)38;1-3-11-25(12-4-1)37-29-17-9-10-18-30(29)38(26-13-5-2-6-14-26)42-33-21-22-35-40-31(19-20-32(39(33)40)41(37)42)34-23-27-15-7-8-16-28(27)24-36(34)43-35;1-3-11-23(12-4-1)33-26-16-7-8-17-27(26)34(24-13-5-2-6-14-24)38-30-21-22-32-36-28(19-20-29(35(30)36)37(33)38)25-15-9-10-18-31(25)39-32/h1-30H;1-24H;1-22H
• InChIKey: SPMBETVKEZXVJN-UHFFFAOYSA-N
• XLogP: 38.51
• TPSA: 26.28 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1726.12
LogP ≤ 5	38.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2,4,6,8,10,13,15,17,19,21,23,25,27(31),28-pentadecaene;3,10-diphenyl-22-thiaheptacyclo[13.10.2.02,11.04,9.012,26.016,21.023,27]heptacosa-1(25),2,4,6,8,10,12(26),13,15(27),16,18,20,23-tridecaene;6-naphthalen-1-yl-18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2(11),3,5,7,9,13,15,17,19,21,23,25,27(31),28-pentadecaene?

The IUPAC name of 18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2,4,6,8,10,13,15,17,19,21,23,25,27(31),28-pentadecaene;3,10-diphenyl-22-thiaheptacyclo[13.10.2.02,11.04,9.012,26.016,21.023,27]heptacosa-1(25),2,4,6,8,10,12(26),13,15(27),16,18,20,23-tridecaene;6-naphthalen-1-yl-18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2(11),3,5,7,9,13,15,17,19,21,23,25,27(31),28-pentadecaene (CID 160900833) is 18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2,4,6,8,10,13,15,17,19,21,23,25,27(31),28-pentadecaene;3,10-diphenyl-22-thiaheptacyclo[13.10.2.02,11.04,9.012,26.016,21.023,27]heptacosa-1(25),2,4,6,8,10,12(26),13,15(27),16,18,20,23-tridecaene;6-naphthalen-1-yl-18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2(11),3,5,7,9,13,15,17,19,21,23,25,27(31),28-pentadecaene.

What is the SMILES notation for 18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2,4,6,8,10,13,15,17,19,21,23,25,27(31),28-pentadecaene;3,10-diphenyl-22-thiaheptacyclo[13.10.2.02,11.04,9.012,26.016,21.023,27]heptacosa-1(25),2,4,6,8,10,12(26),13,15(27),16,18,20,23-tridecaene;6-naphthalen-1-yl-18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2(11),3,5,7,9,13,15,17,19,21,23,25,27(31),28-pentadecaene?

The canonical SMILES for 18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2,4,6,8,10,13,15,17,19,21,23,25,27(31),28-pentadecaene;3,10-diphenyl-22-thiaheptacyclo[13.10.2.02,11.04,9.012,26.016,21.023,27]heptacosa-1(25),2,4,6,8,10,12(26),13,15(27),16,18,20,23-tridecaene;6-naphthalen-1-yl-18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2(11),3,5,7,9,13,15,17,19,21,23,25,27(31),28-pentadecaene is c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c4ccc5c6cc7cc(-c8cccc9ccccc89)ccc7cc6oc6ccc(c23)c4c65)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c4ccc5c6cc7ccccc7cc6oc6ccc(c23)c4c65)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3c4ccc5c6ccccc6sc6ccc(c23)c4c65)cc1.

What is the InChIKey of 18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2,4,6,8,10,13,15,17,19,21,23,25,27(31),28-pentadecaene;3,10-diphenyl-22-thiaheptacyclo[13.10.2.02,11.04,9.012,26.016,21.023,27]heptacosa-1(25),2,4,6,8,10,12(26),13,15(27),16,18,20,23-tridecaene;6-naphthalen-1-yl-18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2(11),3,5,7,9,13,15,17,19,21,23,25,27(31),28-pentadecaene?

The InChIKey is SPMBETVKEZXVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30O.C42H24O.C38H22S/c1-3-13-32(14-4-1)47-39-19-9-10-20-40(39)48(33-15-5-2-6-16-33)52-43-26-27-45-50-41(24-25-42(49(43)50)51(47)52)44-29-36-28-35(23-22-34(36)30-46(44)53-45)38-21-11-17-31-12-7-8-18-37(31)38;1-3-11-25(12-4-1)37-29-17-9-10-18-30(29)38(26-13-5-2-6-14-26)42-33-21-22-35-40-31(19-20-32(39(33)40)41(37)42)34-23-27-15-7-8-16-28(27)24-36(34)43-35;1-3-11-23(12-4-1)33-26-16-7-8-17-27(26)34(24-13-5-2-6-14-24)38-30-21-22-32-36-28(19-20-29(35(30)36)37(33)38)25-15-9-10-18-31(25)39-32/h1-30H;1-24H;1-22H.

What are the key properties of 18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2,4,6,8,10,13,15,17,19,21,23,25,27(31),28-pentadecaene;3,10-diphenyl-22-thiaheptacyclo[13.10.2.02,11.04,9.012,26.016,21.023,27]heptacosa-1(25),2,4,6,8,10,12(26),13,15(27),16,18,20,23-tridecaene;6-naphthalen-1-yl-18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2(11),3,5,7,9,13,15,17,19,21,23,25,27(31),28-pentadecaene?

18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2,4,6,8,10,13,15,17,19,21,23,25,27(31),28-pentadecaene;3,10-diphenyl-22-thiaheptacyclo[13.10.2.02,11.04,9.012,26.016,21.023,27]heptacosa-1(25),2,4,6,8,10,12(26),13,15(27),16,18,20,23-tridecaene;6-naphthalen-1-yl-18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2(11),3,5,7,9,13,15,17,19,21,23,25,27(31),28-pentadecaene has a molecular weight of 1726.12 g/mol, XLogP of 38.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2,4,6,8,10,13,15,17,19,21,23,25,27(31),28-pentadecaene;3,10-diphenyl-22-thiaheptacyclo[13.10.2.02,11.04,9.012,26.016,21.023,27]heptacosa-1(25),2,4,6,8,10,12(26),13,15(27),16,18,20,23-tridecaene;6-naphthalen-1-yl-18,25-diphenyl-12-oxaoctacyclo[14.13.2.02,11.04,9.013,30.017,26.019,24.027,31]hentriaconta-1(30),2(11),3,5,7,9,13,15,17,19,21,23,25,27(31),28-pentadecaene is sourced from PubChem (CID 160900833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).