15-(3,5-dimethylphenyl)-4-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one

C25H19NO — CID 154625704

IUPAC15-(3,5-dimethylphenyl)-4-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one
SMILESCc1cc(C)cc(-c2cc3c4c(cccc4n2)C(=O)c2ccc(C)cc2-3)c1
InChIInChI=1S/C25H19NO/c1-14-7-8-18-20(12-14)21-13-23(17-10-15(2)9-16(3)11-17)26-22-6-4-5-19(24(21)22)25(18)27/h4-13H,1-3H3
InChIKeyKPCXKBPMGPRFHX-UHFFFAOYSA-N
MW349.43 g/mol
LogP6.04
Rot. Bonds1

About 15-(3,5-dimethylphenyl)-4-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one

15-(3,5-dimethylphenyl)-4-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one (PubChem CID 154625704) has the molecular formula C25H19NO and a molecular weight of 349.43 g/mol. Its IUPAC name is 15-(3,5-dimethylphenyl)-4-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one.

Molecular Properties

Compound Name15-(3,5-dimethylphenyl)-4-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one
PubChem CID154625704
Molecular FormulaC25H19NO
Molecular Weight349.43 g/mol
Exact Mass349.15
IUPAC Name15-(3,5-dimethylphenyl)-4-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one
SMILESCc1cc(C)cc(-c2cc3c4c(cccc4n2)C(=O)c2ccc(C)cc2-3)c1
InChIInChI=1S/C25H19NO/c1-14-7-8-18-20(12-14)21-13-23(17-10-15(2)9-16(3)11-17)26-22-6-4-5-19(24(21)22)25(18)27/h4-13H,1-3H3
InChIKeyKPCXKBPMGPRFHX-UHFFFAOYSA-N
XLogP6.04
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 15-(3,5-dimethylphenyl)-4-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one with MolForge

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Related Compounds

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2,3-bis(3-methylphenyl)fluoren-9-one
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3-methyl-10-sulfanylideneanthracen-9-one
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15-(3,5-dimethylbenzene-6-id-1-yl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one;iridium;5-methyl-2-phenylpyridine
CID 154625647
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CID 142278417
15-piperidin-1-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
CID 12517746
3-[2-(3,5-dimethylphenyl)-5-methylphenyl]aniline
CID 146475197
3-(3-phenylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
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1,4,5,8-tetrakis(3-methylphenyl)anthracene-9,10-dione
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Frequently Asked Questions

What is the IUPAC name of 15-(3,5-dimethylphenyl)-4-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one?
The IUPAC name of 15-(3,5-dimethylphenyl)-4-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one (CID 154625704) is 15-(3,5-dimethylphenyl)-4-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one.
What is the SMILES notation for 15-(3,5-dimethylphenyl)-4-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one?
The canonical SMILES for 15-(3,5-dimethylphenyl)-4-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one is Cc1cc(C)cc(-c2cc3c4c(cccc4n2)C(=O)c2ccc(C)cc2-3)c1.
What is the InChIKey of 15-(3,5-dimethylphenyl)-4-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one?
The InChIKey is KPCXKBPMGPRFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO/c1-14-7-8-18-20(12-14)21-13-23(17-10-15(2)9-16(3)11-17)26-22-6-4-5-19(24(21)22)25(18)27/h4-13H,1-3H3.
What are the key properties of 15-(3,5-dimethylphenyl)-4-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one?
15-(3,5-dimethylphenyl)-4-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one has a molecular weight of 349.43 g/mol, XLogP of 6.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(3,5-dimethylphenyl)-4-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-8-one is sourced from PubChem (CID 154625704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).