16-naphthalen-2-yl-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one

C24H15N3O — CID 22184443

IUPAC16-naphthalen-2-yl-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one
SMILESO=C1Nc2ccccc2-n2c(-c3ccc4ccccc4c3)nc3cccc1c32
InChIInChI=1S/C24H15N3O/c28-24-18-8-5-10-20-22(18)27(21-11-4-3-9-19(21)26-24)23(25-20)17-13-12-15-6-1-2-7-16(15)14-17/h1-14H,(H,26,28)
InChIKeySHXOCJXCYVDJGF-UHFFFAOYSA-N
MW361.40 g/mol
LogP5.41
Rot. Bonds1

About 16-naphthalen-2-yl-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one

16-naphthalen-2-yl-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one (PubChem CID 22184443) has the molecular formula C24H15N3O and a molecular weight of 361.40 g/mol. Its IUPAC name is 16-naphthalen-2-yl-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one.

Molecular Properties

Compound Name16-naphthalen-2-yl-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one
PubChem CID22184443
Molecular FormulaC24H15N3O
Molecular Weight361.40 g/mol
Exact Mass361.12
IUPAC Name16-naphthalen-2-yl-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one
SMILESO=C1Nc2ccccc2-n2c(-c3ccc4ccccc4c3)nc3cccc1c32
InChIInChI=1S/C24H15N3O/c28-24-18-8-5-10-20-22(18)27(21-11-4-3-9-19(21)26-24)23(25-20)17-13-12-15-6-1-2-7-16(15)14-17/h1-14H,(H,26,28)
InChIKeySHXOCJXCYVDJGF-UHFFFAOYSA-N
XLogP5.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.40
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 16-naphthalen-2-yl-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one with MolForge

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Related Compounds

16-(3-phenylphenyl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one
CID 22184487
16-(1H-indol-3-yl)-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one
CID 135752512
16-[4-(4-butylpiperazin-1-yl)phenyl]-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one
CID 22184468
15-[3-[3-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 139516496
15-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;15-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;15-[3-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;15-[3-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 159631402
8-methyl-15-naphthalen-2-yl-6-(10-naphthalen-2-ylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122492892
15-naphthalen-2-yl-8-(10-naphthalen-1-ylanthracen-9-yl)-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122493097
15-triphenylen-2-yl-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 139516424
15-naphthalen-2-yl-6-(10-phenanthren-9-ylanthracen-9-yl)-8-phenyl-1,14-diaza-8λ5-phosphatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene 8-oxide
CID 122486889
8-(4-naphthalen-2-ylphenyl)-15-phenyl-1,8,14-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaene
CID 122493116
15-(3-triphenylen-2-ylphenyl)-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 139516422
5-(4-naphthalen-2-ylphenyl)-15-phenyl-8λ6-thia-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaene 8,8-dioxide
CID 122486389

Frequently Asked Questions

What is the IUPAC name of 16-naphthalen-2-yl-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one?
The IUPAC name of 16-naphthalen-2-yl-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one (CID 22184443) is 16-naphthalen-2-yl-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one.
What is the SMILES notation for 16-naphthalen-2-yl-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one?
The canonical SMILES for 16-naphthalen-2-yl-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one is O=C1Nc2ccccc2-n2c(-c3ccc4ccccc4c3)nc3cccc1c32.
What is the InChIKey of 16-naphthalen-2-yl-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one?
The InChIKey is SHXOCJXCYVDJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3O/c28-24-18-8-5-10-20-22(18)27(21-11-4-3-9-19(21)26-24)23(25-20)17-13-12-15-6-1-2-7-16(15)14-17/h1-14H,(H,26,28).
What are the key properties of 16-naphthalen-2-yl-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one?
16-naphthalen-2-yl-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one has a molecular weight of 361.40 g/mol, XLogP of 5.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-naphthalen-2-yl-1,8,15-triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10(17),11,13,15-heptaen-9-one is sourced from PubChem (CID 22184443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).