11-phenyl-15-[3-(3-phenylindazol-1-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene

C49H30N4O — CID 118546138

IUPAC11-phenyl-15-[3-(3-phenylindazol-1-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
SMILESc1ccc(-c2nn(-c3cccc(-n4c5cc6c(cc5c5ccc7c8ccccc8oc7c54)c4ccccc4n6-c4ccccc4)c3)c3ccccc23)cc1
InChIInChI=1S/C49H30N4O/c1-3-14-31(15-4-1)47-39-22-8-11-24-43(39)53(50-47)34-19-13-18-33(28-34)52-45-30-44-40(35-20-7-10-23-42(35)51(44)32-16-5-2-6-17-32)29-41(45)37-26-27-38-36-21-9-12-25-46(36)54-49(38)48(37)52/h1-30H
InChIKeyVQGYOLKESJSCSD-UHFFFAOYSA-N
MW690.81 g/mol
LogP12.79
Rot. Bonds4

About 11-phenyl-15-[3-(3-phenylindazol-1-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene

11-phenyl-15-[3-(3-phenylindazol-1-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene (PubChem CID 118546138) has the molecular formula C49H30N4O and a molecular weight of 690.81 g/mol. Its IUPAC name is 11-phenyl-15-[3-(3-phenylindazol-1-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene.

Molecular Properties

Compound Name11-phenyl-15-[3-(3-phenylindazol-1-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
PubChem CID118546138
Molecular FormulaC49H30N4O
Molecular Weight690.81 g/mol
Exact Mass690.24
IUPAC Name11-phenyl-15-[3-(3-phenylindazol-1-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene
SMILESc1ccc(-c2nn(-c3cccc(-n4c5cc6c(cc5c5ccc7c8ccccc8oc7c54)c4ccccc4n6-c4ccccc4)c3)c3ccccc23)cc1
InChIInChI=1S/C49H30N4O/c1-3-14-31(15-4-1)47-39-22-8-11-24-43(39)53(50-47)34-19-13-18-33(28-34)52-45-30-44-40(35-20-7-10-23-42(35)51(44)32-16-5-2-6-17-32)29-41(45)37-26-27-38-36-21-9-12-25-46(36)54-49(38)48(37)52/h1-30H
InChIKeyVQGYOLKESJSCSD-UHFFFAOYSA-N
XLogP12.79
TPSA40.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.81
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-phenyl-15-[3-(3-phenylindazol-1-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-phenyl-15-[3-(3-phenylindazol-1-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene?
The IUPAC name of 11-phenyl-15-[3-(3-phenylindazol-1-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene (CID 118546138) is 11-phenyl-15-[3-(3-phenylindazol-1-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene.
What is the SMILES notation for 11-phenyl-15-[3-(3-phenylindazol-1-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene?
The canonical SMILES for 11-phenyl-15-[3-(3-phenylindazol-1-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene is c1ccc(-c2nn(-c3cccc(-n4c5cc6c(cc5c5ccc7c8ccccc8oc7c54)c4ccccc4n6-c4ccccc4)c3)c3ccccc23)cc1.
What is the InChIKey of 11-phenyl-15-[3-(3-phenylindazol-1-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene?
The InChIKey is VQGYOLKESJSCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4O/c1-3-14-31(15-4-1)47-39-22-8-11-24-43(39)53(50-47)34-19-13-18-33(28-34)52-45-30-44-40(35-20-7-10-23-42(35)51(44)32-16-5-2-6-17-32)29-41(45)37-26-27-38-36-21-9-12-25-46(36)54-49(38)48(37)52/h1-30H.
What are the key properties of 11-phenyl-15-[3-(3-phenylindazol-1-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene?
11-phenyl-15-[3-(3-phenylindazol-1-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene has a molecular weight of 690.81 g/mol, XLogP of 12.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-15-[3-(3-phenylindazol-1-yl)phenyl]-18-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17(25),19,21,23,26-dodecaene is sourced from PubChem (CID 118546138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).