6-ethyl-2,7,9,11,11-pentamethyl-5-(4-propylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene

C26H34N2 — CID 134407599

IUPAC6-ethyl-2,7,9,11,11-pentamethyl-5-(4-propylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
SMILESCCCc1ccc(-c2c(CC)c(C)c3c4c2cc(C)n4C(C)(C)CN3C)cc1
InChIInChI=1S/C26H34N2/c1-8-10-19-11-13-20(14-12-19)23-21(9-2)18(4)24-25-22(23)15-17(3)28(25)26(5,6)16-27(24)7/h11-15H,8-10,16H2,1-7H3
InChIKeyYQOJECMDSABDOT-UHFFFAOYSA-N
MW374.57 g/mol
LogP6.62
Rot. Bonds4

About 6-ethyl-2,7,9,11,11-pentamethyl-5-(4-propylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene

6-ethyl-2,7,9,11,11-pentamethyl-5-(4-propylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene (PubChem CID 134407599) has the molecular formula C26H34N2 and a molecular weight of 374.57 g/mol. Its IUPAC name is 6-ethyl-2,7,9,11,11-pentamethyl-5-(4-propylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene.

Molecular Properties

Compound Name6-ethyl-2,7,9,11,11-pentamethyl-5-(4-propylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
PubChem CID134407599
Molecular FormulaC26H34N2
Molecular Weight374.57 g/mol
Exact Mass374.27
IUPAC Name6-ethyl-2,7,9,11,11-pentamethyl-5-(4-propylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
SMILESCCCc1ccc(-c2c(CC)c(C)c3c4c2cc(C)n4C(C)(C)CN3C)cc1
InChIInChI=1S/C26H34N2/c1-8-10-19-11-13-20(14-12-19)23-21(9-2)18(4)24-25-22(23)15-17(3)28(25)26(5,6)16-27(24)7/h11-15H,8-10,16H2,1-7H3
InChIKeyYQOJECMDSABDOT-UHFFFAOYSA-N
XLogP6.62
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.57
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-ethyl-2,7,9,11,11-pentamethyl-5-(4-propylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene with MolForge

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Related Compounds

6-ethyl-9-ethylsulfonyl-2,7-dimethyl-5-(4-methylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 134407268
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
N-[[5-(4-chlorophenyl)-6-ethyl-2,7-dimethyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-9-yl]methyl]methanimine;formic acid;2-methylpropan-2-ol
CID 145197375
2,3-dimethyl-1-[2-(4-methylphenyl)ethyl]-4-propylbenzene
CID 59876774
2-ethyl-1-methyl-4-(4-propylphenyl)benzene
CID 123879424
ethane;2-methyl-5-(4-propylphenyl)furan
CID 169195789
[5-(4-propylphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
CID 165472179
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
9-(9,9-dipropylfluoren-2-yl)-10-[7-[9,9-dipropyl-7-[10-(4-propylphenyl)anthracen-9-yl]fluoren-2-yl]-9,9-dipropylfluoren-2-yl]anthracene
CID 20822027

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,7,9,11,11-pentamethyl-5-(4-propylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
The IUPAC name of 6-ethyl-2,7,9,11,11-pentamethyl-5-(4-propylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene (CID 134407599) is 6-ethyl-2,7,9,11,11-pentamethyl-5-(4-propylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene.
What is the SMILES notation for 6-ethyl-2,7,9,11,11-pentamethyl-5-(4-propylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
The canonical SMILES for 6-ethyl-2,7,9,11,11-pentamethyl-5-(4-propylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene is CCCc1ccc(-c2c(CC)c(C)c3c4c2cc(C)n4C(C)(C)CN3C)cc1.
What is the InChIKey of 6-ethyl-2,7,9,11,11-pentamethyl-5-(4-propylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
The InChIKey is YQOJECMDSABDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2/c1-8-10-19-11-13-20(14-12-19)23-21(9-2)18(4)24-25-22(23)15-17(3)28(25)26(5,6)16-27(24)7/h11-15H,8-10,16H2,1-7H3.
What are the key properties of 6-ethyl-2,7,9,11,11-pentamethyl-5-(4-propylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene?
6-ethyl-2,7,9,11,11-pentamethyl-5-(4-propylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene has a molecular weight of 374.57 g/mol, XLogP of 6.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,7,9,11,11-pentamethyl-5-(4-propylphenyl)-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene is sourced from PubChem (CID 134407599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).