5,11,17-triphenoxy-22-phenyl-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene

C43H27NO5 — CID 154978226

IUPAC5,11,17-triphenoxy-22-phenyl-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESc1ccc(Oc2cc3c4c(c2)Oc2cc(Oc5ccccc5)cc5c2C4c2c(cc(Oc4ccccc4)cc2N5c2ccccc2)O3)cc1
InChIInChI=1S/C43H27NO5/c1-5-13-27(14-6-1)44-34-21-31(45-28-15-7-2-8-16-28)23-36-40(34)43-41-35(44)22-32(46-29-17-9-3-10-18-29)24-37(41)49-39-26-33(25-38(48-36)42(39)43)47-30-19-11-4-12-20-30/h1-26,43H
InChIKeyPYOPIHLHKTYJHN-UHFFFAOYSA-N
MW637.69 g/mol
LogP12.24
Rot. Bonds7

About 5,11,17-triphenoxy-22-phenyl-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene

5,11,17-triphenoxy-22-phenyl-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 154978226) has the molecular formula C43H27NO5 and a molecular weight of 637.69 g/mol. Its IUPAC name is 5,11,17-triphenoxy-22-phenyl-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

Compound Name5,11,17-triphenoxy-22-phenyl-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
PubChem CID154978226
Molecular FormulaC43H27NO5
Molecular Weight637.69 g/mol
Exact Mass637.19
IUPAC Name5,11,17-triphenoxy-22-phenyl-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene
SMILESc1ccc(Oc2cc3c4c(c2)Oc2cc(Oc5ccccc5)cc5c2C4c2c(cc(Oc4ccccc4)cc2N5c2ccccc2)O3)cc1
InChIInChI=1S/C43H27NO5/c1-5-13-27(14-6-1)44-34-21-31(45-28-15-7-2-8-16-28)23-36-40(34)43-41-35(44)22-32(46-29-17-9-3-10-18-29)24-37(41)49-39-26-33(25-38(48-36)42(39)43)47-30-19-11-4-12-20-30/h1-26,43H
InChIKeyPYOPIHLHKTYJHN-UHFFFAOYSA-N
XLogP12.24
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.69
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5,11,17-triphenoxy-22-phenyl-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,11,17-triphenoxy-22-phenyl-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The IUPAC name of 5,11,17-triphenoxy-22-phenyl-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 154978226) is 5,11,17-triphenoxy-22-phenyl-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene.
What is the SMILES notation for 5,11,17-triphenoxy-22-phenyl-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The canonical SMILES for 5,11,17-triphenoxy-22-phenyl-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene is c1ccc(Oc2cc3c4c(c2)Oc2cc(Oc5ccccc5)cc5c2C4c2c(cc(Oc4ccccc4)cc2N5c2ccccc2)O3)cc1.
What is the InChIKey of 5,11,17-triphenoxy-22-phenyl-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
The InChIKey is PYOPIHLHKTYJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27NO5/c1-5-13-27(14-6-1)44-34-21-31(45-28-15-7-2-8-16-28)23-36-40(34)43-41-35(44)22-32(46-29-17-9-3-10-18-29)24-37(41)49-39-26-33(25-38(48-36)42(39)43)47-30-19-11-4-12-20-30/h1-26,43H.
What are the key properties of 5,11,17-triphenoxy-22-phenyl-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene?
5,11,17-triphenoxy-22-phenyl-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 637.69 g/mol, XLogP of 12.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11,17-triphenoxy-22-phenyl-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 154978226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).