7,18-bis(4-methylphenyl)-11,14,22,26-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

C62H38N2O8 — CID 58049657

IUPAC7,18-bis(4-methylphenyl)-11,14,22,26-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
SMILESCc1ccc(N2C(=O)c3cc(Oc4ccccc4)c4c5c(Oc6ccccc6)cc6c7c(cc(Oc8ccccc8)c(c8c(Oc9ccccc9)cc(c3c48)C2=O)c75)C(=O)N(c2ccc(C)cc2)C6=O)cc1
InChIInChI=1S/C62H38N2O8/c1-35-23-27-37(28-24-35)63-59(65)43-31-47(69-39-15-7-3-8-16-39)53-55-49(71-41-19-11-5-12-20-41)33-45-52-46(62(68)64(61(45)67)38-29-25-36(2)26-30-38)34-50(72-42-21-13-6-14-22-42)56(58(52)55)54-48(70-40-17-9-4-10-18-40)32-44(60(63)66)51(43)57(53)54/h3-34H,1-2H3
InChIKeyFMWWBHOXETYVOB-UHFFFAOYSA-N
MW938.99 g/mol
LogP15.12
Rot. Bonds10

About 7,18-bis(4-methylphenyl)-11,14,22,26-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(4-methylphenyl)-11,14,22,26-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 58049657) has the molecular formula C62H38N2O8 and a molecular weight of 938.99 g/mol. Its IUPAC name is 7,18-bis(4-methylphenyl)-11,14,22,26-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(4-methylphenyl)-11,14,22,26-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 CID58049657
Molecular FormulaC62H38N2O8
Molecular Weight938.99 g/mol
Exact Mass938.26
IUPAC Name7,18-bis(4-methylphenyl)-11,14,22,26-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
SMILESCc1ccc(N2C(=O)c3cc(Oc4ccccc4)c4c5c(Oc6ccccc6)cc6c7c(cc(Oc8ccccc8)c(c8c(Oc9ccccc9)cc(c3c48)C2=O)c75)C(=O)N(c2ccc(C)cc2)C6=O)cc1
InChIInChI=1S/C62H38N2O8/c1-35-23-27-37(28-24-35)63-59(65)43-31-47(69-39-15-7-3-8-16-39)53-55-49(71-41-19-11-5-12-20-41)33-45-52-46(62(68)64(61(45)67)38-29-25-36(2)26-30-38)34-50(72-42-21-13-6-14-22-42)56(58(52)55)54-48(70-40-17-9-4-10-18-40)32-44(60(63)66)51(43)57(53)54/h3-34H,1-2H3
InChIKeyFMWWBHOXETYVOB-UHFFFAOYSA-N
XLogP15.12
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500938.99
LogP ≤ 515.12
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(4-methylphenyl)-11,14,22,26-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(4-methylphenyl)-11,14,22,26-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(4-methylphenyl)-11,14,22,26-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 58049657) is 7,18-bis(4-methylphenyl)-11,14,22,26-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(4-methylphenyl)-11,14,22,26-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(4-methylphenyl)-11,14,22,26-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 Cc1ccc(N2C(=O)c3cc(Oc4ccccc4)c4c5c(Oc6ccccc6)cc6c7c(cc(Oc8ccccc8)c(c8c(Oc9ccccc9)cc(c3c48)C2=O)c75)C(=O)N(c2ccc(C)cc2)C6=O)cc1.
What is the InChIKey of 7,18-bis(4-methylphenyl)-11,14,22,26-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 FMWWBHOXETYVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N2O8/c1-35-23-27-37(28-24-35)63-59(65)43-31-47(69-39-15-7-3-8-16-39)53-55-49(71-41-19-11-5-12-20-41)33-45-52-46(62(68)64(61(45)67)38-29-25-36(2)26-30-38)34-50(72-42-21-13-6-14-22-42)56(58(52)55)54-48(70-40-17-9-4-10-18-40)32-44(60(63)66)51(43)57(53)54/h3-34H,1-2H3.
What are the key properties of 7,18-bis(4-methylphenyl)-11,14,22,26-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(4-methylphenyl)-11,14,22,26-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 938.99 g/mol, XLogP of 15.12, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,18-bis(4-methylphenyl)-11,14,22,26-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 58049657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).