7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,17-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,19-dione;7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,17-dione;methane

C145H120N4O12S4 — CID 157225170

About 7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,17-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,19-dione;7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,17-dione;methane

7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,17-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,19-dione;7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,17-dione;methane (PubChem CID 157225170) has the molecular formula C145H120N4O12S4 and a molecular weight of 2238.84 g/mol. Its IUPAC name is 7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,17-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,19-dione;7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,17-dione;methane.

Molecular Properties

• Compound Name: 7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,17-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,19-dione;7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,17-dione;methane
• PubChem CID: 157225170
• Molecular Formula: C145H120N4O12S4
• Molecular Weight: 2238.84 g/mol
• Exact Mass: 2236.78
• IUPAC Name: 7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,17-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,19-dione;7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,17-dione;methane
• SMILES: C.CC(C)c1cccc(C(C)C)c1N1C(=O)c2cc(Oc3ccccc3)c3c4c(Oc5ccccc5)cc5c6c(cc(Oc7ccccc7)c(c7c(Oc8ccccc8)cc(c2c37)C1=S)c64)C(=O)N(c1c(C(C)C)cccc1C(C)C)C5=S.CC(C)c1cccc(C(C)C)c1N1C(=O)c2cc(Oc3ccccc3)c3c4c(Oc5ccccc5)cc5c6c(cc(Oc7ccccc7)c(c7c(Oc8ccccc8)cc(c2c37)C1=S)c64)C(=S)N(c1c(C(C)C)cccc1C(C)C)C5=O
• InChI: InChI=1S/2C72H58N2O6S2.CH4/c1-39(2)47-31-21-32-48(40(3)4)67(47)73-69(75)51-35-55(77-43-23-13-9-14-24-43)61-64-58(80-46-29-19-12-20-30-46)38-54-60-52(70(76)74(72(54)82)68-49(41(5)6)33-22-34-50(68)42(7)8)36-56(78-44-25-15-10-16-26-44)62(66(60)64)63-57(79-45-27-17-11-18-28-45)37-53(71(73)81)59(51)65(61)63;1-39(2)47-31-21-32-48(40(3)4)67(47)73-69(75)51-35-55(77-43-23-13-9-14-24-43)61-62-56(78-44-25-15-10-16-26-44)36-52-60-54(72(82)74(70(52)76)68-49(41(5)6)33-22-34-50(68)42(7)8)38-58(80-46-29-19-12-20-30-46)64(66(60)62)63-57(79-45-27-17-11-18-28-45)37-53(71(73)81)59(51)65(61)63;/h2*9-42H,1-8H3;1H4
• InChIKey: ATLJPRQFTIRASY-UHFFFAOYSA-N
• XLogP: 40.78
• TPSA: 155.08 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 28
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2238.84
LogP ≤ 5	40.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,17-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,19-dione;7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,17-dione;methane?

The IUPAC name of 7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,17-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,19-dione;7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,17-dione;methane (CID 157225170) is 7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,17-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,19-dione;7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,17-dione;methane.

What is the SMILES notation for 7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,17-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,19-dione;7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,17-dione;methane?

The canonical SMILES for 7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,17-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,19-dione;7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,17-dione;methane is C.CC(C)c1cccc(C(C)C)c1N1C(=O)c2cc(Oc3ccccc3)c3c4c(Oc5ccccc5)cc5c6c(cc(Oc7ccccc7)c(c7c(Oc8ccccc8)cc(c2c37)C1=S)c64)C(=O)N(c1c(C(C)C)cccc1C(C)C)C5=S.CC(C)c1cccc(C(C)C)c1N1C(=O)c2cc(Oc3ccccc3)c3c4c(Oc5ccccc5)cc5c6c(cc(Oc7ccccc7)c(c7c(Oc8ccccc8)cc(c2c37)C1=S)c64)C(=S)N(c1c(C(C)C)cccc1C(C)C)C5=O.

What is the InChIKey of 7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,17-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,19-dione;7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,17-dione;methane?

The InChIKey is ATLJPRQFTIRASY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C72H58N2O6S2.CH4/c1-39(2)47-31-21-32-48(40(3)4)67(47)73-69(75)51-35-55(77-43-23-13-9-14-24-43)61-64-58(80-46-29-19-12-20-30-46)38-54-60-52(70(76)74(72(54)82)68-49(41(5)6)33-22-34-50(68)42(7)8)36-56(78-44-25-15-10-16-26-44)62(66(60)64)63-57(79-45-27-17-11-18-28-45)37-53(71(73)81)59(51)65(61)63;1-39(2)47-31-21-32-48(40(3)4)67(47)73-69(75)51-35-55(77-43-23-13-9-14-24-43)61-62-56(78-44-25-15-10-16-26-44)36-52-60-54(72(82)74(70(52)76)68-49(41(5)6)33-22-34-50(68)42(7)8)38-58(80-46-29-19-12-20-30-46)64(66(60)62)63-57(79-45-27-17-11-18-28-45)37-53(71(73)81)59(51)65(61)63;/h2*9-42H,1-8H3;1H4.

What are the key properties of 7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,17-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,19-dione;7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,17-dione;methane?

7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,17-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,19-dione;7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,17-dione;methane has a molecular weight of 2238.84 g/mol, XLogP of 40.78, 28 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,17-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,19-dione;7,18-bis[2,6-di(propan-2-yl)phenyl]-11,14,22,26-tetraphenoxy-8,19-bis(sulfanylidene)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaene-6,17-dione;methane is sourced from PubChem (CID 157225170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).