11-methyl-8,14-diphenyl-18,20-dioxa-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2,4,6,9(24),10,12,15,17(21),22-nonaene

C33H24N2O2 — CID 171049553

IUPAC11-methyl-8,14-diphenyl-18,20-dioxa-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2,4,6,9(24),10,12,15,17(21),22-nonaene
SMILESCc1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1C3c1ccccc1N2c1ccccc1)OCO4
InChIInChI=1S/C33H24N2O2/c1-21-16-28-33-29(17-21)35(23-12-6-3-7-13-23)27-19-31-30(36-20-37-31)18-25(27)32(33)24-14-8-9-15-26(24)34(28)22-10-4-2-5-11-22/h2-19,32H,20H2,1H3
InChIKeyZJHPBACBKYAJQT-UHFFFAOYSA-N
MW480.57 g/mol
LogP8.47
Rot. Bonds2

About 11-methyl-8,14-diphenyl-18,20-dioxa-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2,4,6,9(24),10,12,15,17(21),22-nonaene

11-methyl-8,14-diphenyl-18,20-dioxa-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2,4,6,9(24),10,12,15,17(21),22-nonaene (PubChem CID 171049553) has the molecular formula C33H24N2O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is 11-methyl-8,14-diphenyl-18,20-dioxa-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2,4,6,9(24),10,12,15,17(21),22-nonaene.

Molecular Properties

Compound Name11-methyl-8,14-diphenyl-18,20-dioxa-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2,4,6,9(24),10,12,15,17(21),22-nonaene
PubChem CID171049553
Molecular FormulaC33H24N2O2
Molecular Weight480.57 g/mol
Exact Mass480.18
IUPAC Name11-methyl-8,14-diphenyl-18,20-dioxa-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2,4,6,9(24),10,12,15,17(21),22-nonaene
SMILESCc1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1C3c1ccccc1N2c1ccccc1)OCO4
InChIInChI=1S/C33H24N2O2/c1-21-16-28-33-29(17-21)35(23-12-6-3-7-13-23)27-19-31-30(36-20-37-31)18-25(27)32(33)24-14-8-9-15-26(24)34(28)22-10-4-2-5-11-22/h2-19,32H,20H2,1H3
InChIKeyZJHPBACBKYAJQT-UHFFFAOYSA-N
XLogP8.47
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 11-methyl-8,14-diphenyl-18,20-dioxa-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2,4,6,9(24),10,12,15,17(21),22-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-methyl-8,14-diphenyl-18,20-dioxa-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2,4,6,9(24),10,12,15,17(21),22-nonaene?
The IUPAC name of 11-methyl-8,14-diphenyl-18,20-dioxa-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2,4,6,9(24),10,12,15,17(21),22-nonaene (CID 171049553) is 11-methyl-8,14-diphenyl-18,20-dioxa-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2,4,6,9(24),10,12,15,17(21),22-nonaene.
What is the SMILES notation for 11-methyl-8,14-diphenyl-18,20-dioxa-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2,4,6,9(24),10,12,15,17(21),22-nonaene?
The canonical SMILES for 11-methyl-8,14-diphenyl-18,20-dioxa-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2,4,6,9(24),10,12,15,17(21),22-nonaene is Cc1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1C3c1ccccc1N2c1ccccc1)OCO4.
What is the InChIKey of 11-methyl-8,14-diphenyl-18,20-dioxa-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2,4,6,9(24),10,12,15,17(21),22-nonaene?
The InChIKey is ZJHPBACBKYAJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2O2/c1-21-16-28-33-29(17-21)35(23-12-6-3-7-13-23)27-19-31-30(36-20-37-31)18-25(27)32(33)24-14-8-9-15-26(24)34(28)22-10-4-2-5-11-22/h2-19,32H,20H2,1H3.
What are the key properties of 11-methyl-8,14-diphenyl-18,20-dioxa-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2,4,6,9(24),10,12,15,17(21),22-nonaene?
11-methyl-8,14-diphenyl-18,20-dioxa-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2,4,6,9(24),10,12,15,17(21),22-nonaene has a molecular weight of 480.57 g/mol, XLogP of 8.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-8,14-diphenyl-18,20-dioxa-8,14-diazahexacyclo[11.10.1.02,7.09,24.015,23.017,21]tetracosa-2,4,6,9(24),10,12,15,17(21),22-nonaene is sourced from PubChem (CID 171049553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).