8-methyl-3-phenyl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

C22H15N — CID 59621802

IUPAC8-methyl-3-phenyl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESCc1ccc2nc(-c3ccccc3)cc3c2c1-c1ccccc1-3
InChIInChI=1S/C22H15N/c1-14-11-12-19-22-18(16-9-5-6-10-17(16)21(14)22)13-20(23-19)15-7-3-2-4-8-15/h2-13H,1H3
InChIKeyNDEKZDCCSCWTGQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP5.86
Rot. Bonds1

About 8-methyl-3-phenyl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

8-methyl-3-phenyl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (PubChem CID 59621802) has the molecular formula C22H15N and a molecular weight of 293.37 g/mol. Its IUPAC name is 8-methyl-3-phenyl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.

Molecular Properties

Compound Name8-methyl-3-phenyl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
PubChem CID59621802
Molecular FormulaC22H15N
Molecular Weight293.37 g/mol
Exact Mass293.12
IUPAC Name8-methyl-3-phenyl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESCc1ccc2nc(-c3ccccc3)cc3c2c1-c1ccccc1-3
InChIInChI=1S/C22H15N/c1-14-11-12-19-22-18(16-9-5-6-10-17(16)21(14)22)13-20(23-19)15-7-3-2-4-8-15/h2-13H,1H3
InChIKeyNDEKZDCCSCWTGQ-UHFFFAOYSA-N
XLogP5.86
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.37
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-phenylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 59621439
13-methylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
CID 13440491
7-(2,6-diphenyl-4-pyridinyl)-1,3-diphenylbenzo[f]quinoline
CID 166569266
[2-(2-methylphenyl)-6-phenylpyrimidin-4-yl]hydrazine
CID 62252725
3-(3-phenoxyphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 59621569
4-methyl-2-phenyl-5-[2-[2,4,6-trimethyl-3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191341
4-methyl-2-phenyl-1,7-naphthyridine
CID 71032237
1-methyl-4,8-diphenylazulene
CID 86056773
4-[4-(2,6-diphenyl-4-pyridinyl)-2,3,5,6-tetramethylphenyl]-2,6-diphenylpyridine
CID 58692905
copper;bis(4-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)-6-phenylpyrimidine)
CID 140777635
N-[4-(4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaen-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 139499286
7-methyl-2,4-diphenylquinoline
CID 13048584

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-phenyl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The IUPAC name of 8-methyl-3-phenyl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (CID 59621802) is 8-methyl-3-phenyl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.
What is the SMILES notation for 8-methyl-3-phenyl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The canonical SMILES for 8-methyl-3-phenyl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is Cc1ccc2nc(-c3ccccc3)cc3c2c1-c1ccccc1-3.
What is the InChIKey of 8-methyl-3-phenyl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The InChIKey is NDEKZDCCSCWTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N/c1-14-11-12-19-22-18(16-9-5-6-10-17(16)21(14)22)13-20(23-19)15-7-3-2-4-8-15/h2-13H,1H3.
What are the key properties of 8-methyl-3-phenyl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
8-methyl-3-phenyl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene has a molecular weight of 293.37 g/mol, XLogP of 5.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-phenyl-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is sourced from PubChem (CID 59621802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).