19-(3,5-diphenylphenyl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene

C48H30N2O — CID 129141836

IUPAC19-(3,5-diphenylphenyl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c5cc43)c2)cc1
InChIInChI=1S/C48H30N2O/c1-4-14-31(15-5-1)33-26-34(32-16-6-2-7-17-32)28-36(27-33)50-42-22-12-10-20-37(42)40-29-41-45(30-44(40)50)49(35-18-8-3-9-19-35)43-25-24-39-38-21-11-13-23-46(38)51-48(39)47(41)43/h1-30H
InChIKeyNPFIHHXVJHDXKW-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.11
Rot. Bonds4

About 19-(3,5-diphenylphenyl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene

19-(3,5-diphenylphenyl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene (PubChem CID 129141836) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 19-(3,5-diphenylphenyl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene.

Molecular Properties

Compound Name19-(3,5-diphenylphenyl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
PubChem CID129141836
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name19-(3,5-diphenylphenyl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c5cc43)c2)cc1
InChIInChI=1S/C48H30N2O/c1-4-14-31(15-5-1)33-26-34(32-16-6-2-7-17-32)28-36(27-33)50-42-22-12-10-20-37(42)40-29-41-45(30-44(40)50)49(35-18-8-3-9-19-35)43-25-24-39-38-21-11-13-23-46(38)51-48(39)47(41)43/h1-30H
InChIKeyNPFIHHXVJHDXKW-UHFFFAOYSA-N
XLogP13.11
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.78
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 19-(3,5-diphenylphenyl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 19-(3,5-diphenylphenyl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene?
The IUPAC name of 19-(3,5-diphenylphenyl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene (CID 129141836) is 19-(3,5-diphenylphenyl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene.
What is the SMILES notation for 19-(3,5-diphenylphenyl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene?
The canonical SMILES for 19-(3,5-diphenylphenyl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c5cc43)c2)cc1.
What is the InChIKey of 19-(3,5-diphenylphenyl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene?
The InChIKey is NPFIHHXVJHDXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-4-14-31(15-5-1)33-26-34(32-16-6-2-7-17-32)28-36(27-33)50-42-22-12-10-20-37(42)40-29-41-45(30-44(40)50)49(35-18-8-3-9-19-35)43-25-24-39-38-21-11-13-23-46(38)51-48(39)47(41)43/h1-30H.
What are the key properties of 19-(3,5-diphenylphenyl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene?
19-(3,5-diphenylphenyl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene has a molecular weight of 650.78 g/mol, XLogP of 13.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(3,5-diphenylphenyl)-15-phenyl-4-oxa-15,19-diazaheptacyclo[14.11.0.02,14.03,11.05,10.018,26.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,20,22,24,26-dodecaene is sourced from PubChem (CID 129141836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).