18-(3-methoxyphenyl)-15-(2-phenylphenyl)-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

C34H25N3O2 — CID 44634528

IUPAC18-(3-methoxyphenyl)-15-(2-phenylphenyl)-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-c1ccccc1)Oc1ccc3ccccc3c1C2c1cccc(OC)c1
InChIInChI=1S/C34H25N3O2/c1-38-25-14-9-13-24(20-25)30-31-27-16-6-5-12-23(27)18-19-29(31)39-34-32(30)33(35)37(21-36-34)28-17-8-7-15-26(28)22-10-3-2-4-11-22/h2-21,30,35H,1H3/b35-33-
InChIKeyPGTOKOJFRFTVTG-OAPYJULQSA-N
MW507.59 g/mol
LogP7.47
Rot. Bonds4

About 18-(3-methoxyphenyl)-15-(2-phenylphenyl)-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-(2-phenylphenyl)-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 44634528) has the molecular formula C34H25N3O2 and a molecular weight of 507.59 g/mol. Its IUPAC name is 18-(3-methoxyphenyl)-15-(2-phenylphenyl)-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-(2-phenylphenyl)-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 CID44634528
Molecular FormulaC34H25N3O2
Molecular Weight507.59 g/mol
Exact Mass507.19
IUPAC Name18-(3-methoxyphenyl)-15-(2-phenylphenyl)-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-c1ccccc1)Oc1ccc3ccccc3c1C2c1cccc(OC)c1
InChIInChI=1S/C34H25N3O2/c1-38-25-14-9-13-24(20-25)30-31-27-16-6-5-12-23(27)18-19-29(31)39-34-32(30)33(35)37(21-36-34)28-17-8-7-15-26(28)22-10-3-2-4-11-22/h2-21,30,35H,1H3/b35-33-
InChIKeyPGTOKOJFRFTVTG-OAPYJULQSA-N
XLogP7.47
TPSA60.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.59
LogP ≤ 57.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 18-(3-methoxyphenyl)-15-(2-phenylphenyl)-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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Related Compounds

18-(2,3-Dihydro-1-benzofuran-5-yl)-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 25109894
10-benzyl-12-(3,4-dimethoxyphenyl)-10,12-dihydro-11H-benzo[5,6]chromeno[2,3-d]pyrimidin-11-imine
CID 3896772
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
18-(1,3-Benzodioxol-5-yl)-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 25109892
18-(2,3-Dihydro-1,4-benzodioxin-6-yl)-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 25109895
18-(2,3-Dimethoxyphenyl)-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 25109896
15,18-Diphenyl-11-oxa-15-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine
CID 25109913
15,18-Bis(3-methoxyphenyl)-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 44634504
15-(1,3-Benzodioxol-5-yl)-18-(3-methoxyphenyl)-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 44634515
15-(3-Fluorophenyl)-18-(3-methoxyphenyl)-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 44634532
18-(3-Methoxyphenyl)-15-(2-methylsulfanylphenyl)-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 44634536
1-Naphthamidine, N-butyl-4-methoxy-N-(p-methoxyphenyl)-, hydrochloride
CID 44740

Frequently Asked Questions

What is the IUPAC name of 18-(3-methoxyphenyl)-15-(2-phenylphenyl)-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-(2-phenylphenyl)-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 44634528) is 18-(3-methoxyphenyl)-15-(2-phenylphenyl)-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-(2-phenylphenyl)-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-(2-phenylphenyl)-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-c1ccccc1)Oc1ccc3ccccc3c1C2c1cccc(OC)c1.
What is the InChIKey of 18-(3-methoxyphenyl)-15-(2-phenylphenyl)-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 PGTOKOJFRFTVTG-OAPYJULQSA-N. The full InChI is InChI=1S/C34H25N3O2/c1-38-25-14-9-13-24(20-25)30-31-27-16-6-5-12-23(27)18-19-29(31)39-34-32(30)33(35)37(21-36-34)28-17-8-7-15-26(28)22-10-3-2-4-11-22/h2-21,30,35H,1H3/b35-33-.
What are the key properties of 18-(3-methoxyphenyl)-15-(2-phenylphenyl)-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-(2-phenylphenyl)-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 507.59 g/mol, XLogP of 7.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(3-methoxyphenyl)-15-(2-phenylphenyl)-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 44634528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).