18-(3-methoxyphenyl)-15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine

C28H21N3O2 — CID 25109888

IUPAC18-(3-methoxyphenyl)-15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine
SMILES[H]/N=c1/c2c(ncn1-c1ccccc1)Oc1ccc3ccccc3c1C2c1cccc(OC)c1
InChIInChI=1S/C28H21N3O2/c1-32-21-12-7-9-19(16-21)24-25-22-13-6-5-8-18(22)14-15-23(25)33-28-26(24)27(29)31(17-30-28)20-10-3-2-4-11-20/h2-17,24,29H,1H3/b29-27-
InChIKeyFOFZSBYICLUIEN-OHYPFYFLSA-N
MW431.50 g/mol
LogP5.80
Rot. Bonds3

About 18-(3-methoxyphenyl)-15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine

18-(3-methoxyphenyl)-15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine (PubChem CID 25109888) has the molecular formula C28H21N3O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 18-(3-methoxyphenyl)-15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine.

Molecular Properties

Compound Name18-(3-methoxyphenyl)-15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine
PubChem CID25109888
Molecular FormulaC28H21N3O2
Molecular Weight431.50 g/mol
Exact Mass431.16
IUPAC Name18-(3-methoxyphenyl)-15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine
SMILES[H]/N=c1/c2c(ncn1-c1ccccc1)Oc1ccc3ccccc3c1C2c1cccc(OC)c1
InChIInChI=1S/C28H21N3O2/c1-32-21-12-7-9-19(16-21)24-25-22-13-6-5-8-18(22)14-15-23(25)33-28-26(24)27(29)31(17-30-28)20-10-3-2-4-11-20/h2-17,24,29H,1H3/b29-27-
InChIKeyFOFZSBYICLUIEN-OHYPFYFLSA-N
XLogP5.80
TPSA60.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 18-(3-methoxyphenyl)-15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 18-(3-methoxyphenyl)-15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine?
The IUPAC name of 18-(3-methoxyphenyl)-15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine (CID 25109888) is 18-(3-methoxyphenyl)-15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine.
What is the SMILES notation for 18-(3-methoxyphenyl)-15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine?
The canonical SMILES for 18-(3-methoxyphenyl)-15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine is [H]/N=c1/c2c(ncn1-c1ccccc1)Oc1ccc3ccccc3c1C2c1cccc(OC)c1.
What is the InChIKey of 18-(3-methoxyphenyl)-15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine?
The InChIKey is FOFZSBYICLUIEN-OHYPFYFLSA-N. The full InChI is InChI=1S/C28H21N3O2/c1-32-21-12-7-9-19(16-21)24-25-22-13-6-5-8-18(22)14-15-23(25)33-28-26(24)27(29)31(17-30-28)20-10-3-2-4-11-20/h2-17,24,29H,1H3/b29-27-.
What are the key properties of 18-(3-methoxyphenyl)-15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine?
18-(3-methoxyphenyl)-15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine has a molecular weight of 431.50 g/mol, XLogP of 5.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(3-methoxyphenyl)-15-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine is sourced from PubChem (CID 25109888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).