14-phenyl-10,15-diazapentacyclo[11.6.1.02,10.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaen-9-one

C24H18N2O — CID 15425453

IUPAC14-phenyl-10,15-diazapentacyclo[11.6.1.02,10.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaen-9-one
SMILESO=C1c2ccccc2C2c3cccc4[nH]c(-c5ccccc5)c(c34)CCN12
InChIInChI=1S/C24H18N2O/c27-24-17-10-5-4-9-16(17)23-19-11-6-12-20-21(19)18(13-14-26(23)24)22(25-20)15-7-2-1-3-8-15/h1-12,23,25H,13-14H2
InChIKeyDLDCOJMBSHKEIN-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.94
Rot. Bonds1

About 14-phenyl-10,15-diazapentacyclo[11.6.1.02,10.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaen-9-one

14-phenyl-10,15-diazapentacyclo[11.6.1.02,10.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaen-9-one (PubChem CID 15425453) has the molecular formula C24H18N2O and a molecular weight of 350.42 g/mol. Its IUPAC name is 14-phenyl-10,15-diazapentacyclo[11.6.1.02,10.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaen-9-one.

Molecular Properties

Compound Name14-phenyl-10,15-diazapentacyclo[11.6.1.02,10.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaen-9-one
PubChem CID15425453
Molecular FormulaC24H18N2O
Molecular Weight350.42 g/mol
Exact Mass350.14
IUPAC Name14-phenyl-10,15-diazapentacyclo[11.6.1.02,10.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaen-9-one
SMILESO=C1c2ccccc2C2c3cccc4[nH]c(-c5ccccc5)c(c34)CCN12
InChIInChI=1S/C24H18N2O/c27-24-17-10-5-4-9-16(17)23-19-11-6-12-20-21(19)18(13-14-26(23)24)22(25-20)15-7-2-1-3-8-15/h1-12,23,25H,13-14H2
InChIKeyDLDCOJMBSHKEIN-UHFFFAOYSA-N
XLogP4.94
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 14-phenyl-10,15-diazapentacyclo[11.6.1.02,10.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaen-9-one?
The IUPAC name of 14-phenyl-10,15-diazapentacyclo[11.6.1.02,10.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaen-9-one (CID 15425453) is 14-phenyl-10,15-diazapentacyclo[11.6.1.02,10.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaen-9-one.
What is the SMILES notation for 14-phenyl-10,15-diazapentacyclo[11.6.1.02,10.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaen-9-one?
The canonical SMILES for 14-phenyl-10,15-diazapentacyclo[11.6.1.02,10.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaen-9-one is O=C1c2ccccc2C2c3cccc4[nH]c(-c5ccccc5)c(c34)CCN12.
What is the InChIKey of 14-phenyl-10,15-diazapentacyclo[11.6.1.02,10.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaen-9-one?
The InChIKey is DLDCOJMBSHKEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O/c27-24-17-10-5-4-9-16(17)23-19-11-6-12-20-21(19)18(13-14-26(23)24)22(25-20)15-7-2-1-3-8-15/h1-12,23,25H,13-14H2.
What are the key properties of 14-phenyl-10,15-diazapentacyclo[11.6.1.02,10.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaen-9-one?
14-phenyl-10,15-diazapentacyclo[11.6.1.02,10.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaen-9-one has a molecular weight of 350.42 g/mol, XLogP of 4.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-phenyl-10,15-diazapentacyclo[11.6.1.02,10.03,8.016,20]icosa-1(20),3,5,7,13,16,18-heptaen-9-one is sourced from PubChem (CID 15425453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).