7,18-bis[2,6-di(propan-2-yl)phenyl]-10,15,21,25-tetraphenoxy-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-6,8,17,19-tetrone

C72H58N2O8 — CID 155005365

IUPAC7,18-bis[2,6-di(propan-2-yl)phenyl]-10,15,21,25-tetraphenoxy-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-6,8,17,19-tetrone
SMILESCC(C)c1cccc(C(C)C)c1N1C(=O)c2c(Oc3ccccc3)cc3c4cc(Oc5ccccc5)c5c6c(c(Oc7ccccc7)cc(c7cc(Oc8ccccc8)c(c2c37)C1=O)c64)C(=O)N(c1c(C(C)C)cccc1C(C)C)C5=O
InChIInChI=1S/C72H58N2O8/c1-39(2)47-31-21-32-48(40(3)4)67(47)73-69(75)61-55(79-43-23-13-9-14-24-43)35-51-53-37-57(81-45-27-17-11-18-28-45)63-66-60(53)54(52-36-56(80-44-25-15-10-16-26-44)62(70(73)76)65(61)59(51)52)38-58(82-46-29-19-12-20-30-46)64(66)72(78)74(71(63)77)68-49(41(5)6)33-22-34-50(68)42(7)8/h9-42H,1-8H3
InChIKeyWNZMRAOWUUWUNJ-UHFFFAOYSA-N
MW1079.26 g/mol
LogP19.00
Rot. Bonds14

About 7,18-bis[2,6-di(propan-2-yl)phenyl]-10,15,21,25-tetraphenoxy-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-6,8,17,19-tetrone

7,18-bis[2,6-di(propan-2-yl)phenyl]-10,15,21,25-tetraphenoxy-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-6,8,17,19-tetrone (PubChem CID 155005365) has the molecular formula C72H58N2O8 and a molecular weight of 1079.26 g/mol. Its IUPAC name is 7,18-bis[2,6-di(propan-2-yl)phenyl]-10,15,21,25-tetraphenoxy-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-6,8,17,19-tetrone.

Molecular Properties

Compound Name7,18-bis[2,6-di(propan-2-yl)phenyl]-10,15,21,25-tetraphenoxy-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-6,8,17,19-tetrone
PubChem CID155005365
Molecular FormulaC72H58N2O8
Molecular Weight1079.26 g/mol
Exact Mass1078.42
IUPAC Name7,18-bis[2,6-di(propan-2-yl)phenyl]-10,15,21,25-tetraphenoxy-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-6,8,17,19-tetrone
SMILESCC(C)c1cccc(C(C)C)c1N1C(=O)c2c(Oc3ccccc3)cc3c4cc(Oc5ccccc5)c5c6c(c(Oc7ccccc7)cc(c7cc(Oc8ccccc8)c(c2c37)C1=O)c64)C(=O)N(c1c(C(C)C)cccc1C(C)C)C5=O
InChIInChI=1S/C72H58N2O8/c1-39(2)47-31-21-32-48(40(3)4)67(47)73-69(75)61-55(79-43-23-13-9-14-24-43)35-51-53-37-57(81-45-27-17-11-18-28-45)63-66-60(53)54(52-36-56(80-44-25-15-10-16-26-44)62(70(73)76)65(61)59(51)52)38-58(82-46-29-19-12-20-30-46)64(66)72(78)74(71(63)77)68-49(41(5)6)33-22-34-50(68)42(7)8/h9-42H,1-8H3
InChIKeyWNZMRAOWUUWUNJ-UHFFFAOYSA-N
XLogP19.00
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001079.26
LogP ≤ 519.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 7,18-bis[2,6-di(propan-2-yl)phenyl]-10,15,21,25-tetraphenoxy-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-6,8,17,19-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,18-bis[2,6-di(propan-2-yl)phenyl]-10,15,21,25-tetraphenoxy-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-6,8,17,19-tetrone?
The IUPAC name of 7,18-bis[2,6-di(propan-2-yl)phenyl]-10,15,21,25-tetraphenoxy-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-6,8,17,19-tetrone (CID 155005365) is 7,18-bis[2,6-di(propan-2-yl)phenyl]-10,15,21,25-tetraphenoxy-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-6,8,17,19-tetrone.
What is the SMILES notation for 7,18-bis[2,6-di(propan-2-yl)phenyl]-10,15,21,25-tetraphenoxy-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-6,8,17,19-tetrone?
The canonical SMILES for 7,18-bis[2,6-di(propan-2-yl)phenyl]-10,15,21,25-tetraphenoxy-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-6,8,17,19-tetrone is CC(C)c1cccc(C(C)C)c1N1C(=O)c2c(Oc3ccccc3)cc3c4cc(Oc5ccccc5)c5c6c(c(Oc7ccccc7)cc(c7cc(Oc8ccccc8)c(c2c37)C1=O)c64)C(=O)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]-10,15,21,25-tetraphenoxy-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-6,8,17,19-tetrone?
The InChIKey is WNZMRAOWUUWUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H58N2O8/c1-39(2)47-31-21-32-48(40(3)4)67(47)73-69(75)61-55(79-43-23-13-9-14-24-43)35-51-53-37-57(81-45-27-17-11-18-28-45)63-66-60(53)54(52-36-56(80-44-25-15-10-16-26-44)62(70(73)76)65(61)59(51)52)38-58(82-46-29-19-12-20-30-46)64(66)72(78)74(71(63)77)68-49(41(5)6)33-22-34-50(68)42(7)8/h9-42H,1-8H3.
What are the key properties of 7,18-bis[2,6-di(propan-2-yl)phenyl]-10,15,21,25-tetraphenoxy-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-6,8,17,19-tetrone?
7,18-bis[2,6-di(propan-2-yl)phenyl]-10,15,21,25-tetraphenoxy-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-6,8,17,19-tetrone has a molecular weight of 1079.26 g/mol, XLogP of 19.00, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,18-bis[2,6-di(propan-2-yl)phenyl]-10,15,21,25-tetraphenoxy-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-6,8,17,19-tetrone is sourced from PubChem (CID 155005365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).