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

C30H24N2O — CID 25109905

IUPAC18-phenyl-15-(2-phenylethyl)-11-oxa-15-azatetracyclo[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(ccn1CCc1ccccc1)Oc1ccc3ccccc3c1C2c1ccccc1
InChIInChI=1S/C30H24N2O/c31-30-29-26(18-20-32(30)19-17-21-9-3-1-4-10-21)33-25-16-15-22-11-7-8-14-24(22)28(25)27(29)23-12-5-2-6-13-23/h1-16,18,20,27,31H,17,19H2/b31-30-
InChIKeyHOURMWVQSQVNKA-KTMFPKCZSA-N
MW428.54 g/mol
LogP6.65
Rot. Bonds4

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

18-phenyl-15-(2-phenylethyl)-11-oxa-15-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine (PubChem CID 25109905) has the molecular formula C30H24N2O and a molecular weight of 428.54 g/mol. Its IUPAC name is 18-phenyl-15-(2-phenylethyl)-11-oxa-15-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine.

Molecular Properties

Compound Name18-phenyl-15-(2-phenylethyl)-11-oxa-15-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine
PubChem CID25109905
Molecular FormulaC30H24N2O
Molecular Weight428.54 g/mol
Exact Mass428.19
IUPAC Name18-phenyl-15-(2-phenylethyl)-11-oxa-15-azatetracyclo[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(ccn1CCc1ccccc1)Oc1ccc3ccccc3c1C2c1ccccc1
InChIInChI=1S/C30H24N2O/c31-30-29-26(18-20-32(30)19-17-21-9-3-1-4-10-21)33-25-16-15-22-11-7-8-14-24(22)28(25)27(29)23-12-5-2-6-13-23/h1-16,18,20,27,31H,17,19H2/b31-30-
InChIKeyHOURMWVQSQVNKA-KTMFPKCZSA-N
XLogP6.65
TPSA38.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 18-phenyl-15-(2-phenylethyl)-11-oxa-15-azatetracyclo[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-phenyl-15-(2-phenylethyl)-11-oxa-15-azatetracyclo[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-phenyl-15-(2-phenylethyl)-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 25109905) is 18-phenyl-15-(2-phenylethyl)-11-oxa-15-azatetracyclo[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-phenyl-15-(2-phenylethyl)-11-oxa-15-azatetracyclo[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-phenyl-15-(2-phenylethyl)-11-oxa-15-azatetracyclo[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(ccn1CCc1ccccc1)Oc1ccc3ccccc3c1C2c1ccccc1.
What is the InChIKey of 18-phenyl-15-(2-phenylethyl)-11-oxa-15-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine?
The InChIKey is HOURMWVQSQVNKA-KTMFPKCZSA-N. The full InChI is InChI=1S/C30H24N2O/c31-30-29-26(18-20-32(30)19-17-21-9-3-1-4-10-21)33-25-16-15-22-11-7-8-14-24(22)28(25)27(29)23-12-5-2-6-13-23/h1-16,18,20,27,31H,17,19H2/b31-30-.
What are the key properties of 18-phenyl-15-(2-phenylethyl)-11-oxa-15-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17),13-heptaen-16-imine?
18-phenyl-15-(2-phenylethyl)-11-oxa-15-azatetracyclo[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 428.54 g/mol, XLogP of 6.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18-phenyl-15-(2-phenylethyl)-11-oxa-15-azatetracyclo[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 25109905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).