6-[3-(2,6-dimethylphenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene

C25H19N — CID 59622206

IUPAC6-[3-(2,6-dimethylphenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene
SMILESCc1cccc(C)c1-c1cccc(-c2cc3c4c(cccc4n2)C=C3)c1
InChIInChI=1S/C25H19N/c1-16-6-3-7-17(2)24(16)20-10-4-9-19(14-20)23-15-21-13-12-18-8-5-11-22(26-23)25(18)21/h3-15H,1-2H3
InChIKeyFAKQCQWWORITBY-UHFFFAOYSA-N
MW333.43 g/mol
LogP6.67
Rot. Bonds2

About 6-[3-(2,6-dimethylphenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene

6-[3-(2,6-dimethylphenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene (PubChem CID 59622206) has the molecular formula C25H19N and a molecular weight of 333.43 g/mol. Its IUPAC name is 6-[3-(2,6-dimethylphenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene.

Molecular Properties

Compound Name6-[3-(2,6-dimethylphenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene
PubChem CID59622206
Molecular FormulaC25H19N
Molecular Weight333.43 g/mol
Exact Mass333.15
IUPAC Name6-[3-(2,6-dimethylphenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene
SMILESCc1cccc(C)c1-c1cccc(-c2cc3c4c(cccc4n2)C=C3)c1
InChIInChI=1S/C25H19N/c1-16-6-3-7-17(2)24(16)20-10-4-9-19(14-20)23-15-21-13-12-18-8-5-11-22(26-23)25(18)21/h3-15H,1-2H3
InChIKeyFAKQCQWWORITBY-UHFFFAOYSA-N
XLogP6.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-[3-(4-ethenyl-2,6-dimethylphenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene
CID 59621843
6-[3-(4-fluorophenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene
CID 59622043
iridium;6-[3-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene
CID 59621941
iridium;6-[3-(2-methylphenyl)benzene-6-id-1-yl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene
CID 59621999
6-[3-(3,5-diphenylphenyl)benzene-6-id-1-yl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene;iridium
CID 59621695
6-phenyl-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene;platinum
CID 59621960
2-(3,5-dimethylphenyl)-4,5-dimethylquinoline
CID 59348519
[3-[4-(2,6-dimethylphenyl)-6-(3-triphenylsilylphenyl)-2-pyridinyl]phenyl]-triphenylsilane
CID 155622012
1-(7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaen-6-yl)-9-methylcarbazole
CID 59621434
2-[4-(2,6-dimethylphenyl)phenyl]-5-(3-phenylphenyl)furo[3,2-b]pyridine
CID 155629004
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
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

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,6-dimethylphenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene?
The IUPAC name of 6-[3-(2,6-dimethylphenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene (CID 59622206) is 6-[3-(2,6-dimethylphenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene.
What is the SMILES notation for 6-[3-(2,6-dimethylphenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene?
The canonical SMILES for 6-[3-(2,6-dimethylphenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene is Cc1cccc(C)c1-c1cccc(-c2cc3c4c(cccc4n2)C=C3)c1.
What is the InChIKey of 6-[3-(2,6-dimethylphenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene?
The InChIKey is FAKQCQWWORITBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N/c1-16-6-3-7-17(2)24(16)20-10-4-9-19(14-20)23-15-21-13-12-18-8-5-11-22(26-23)25(18)21/h3-15H,1-2H3.
What are the key properties of 6-[3-(2,6-dimethylphenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene?
6-[3-(2,6-dimethylphenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene has a molecular weight of 333.43 g/mol, XLogP of 6.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,6-dimethylphenyl)phenyl]-7-azatricyclo[6.3.1.04,12]dodeca-1(12),2,4,6,8,10-hexaene is sourced from PubChem (CID 59622206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).