5-(2-methoxy-5-methylphenyl)-10,10-dimethyl-2-phenyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene

C26H26N2O — CID 71081493

IUPAC5-(2-methoxy-5-methylphenyl)-10,10-dimethyl-2-phenyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene
SMILESCOc1ccc(C)cc1-c1ccc2c3c1CN(c1ccccc1)C3=CC(C)(C)N2
InChIInChI=1S/C26H26N2O/c1-17-10-13-24(29-4)20(14-17)19-11-12-22-25-21(19)16-28(18-8-6-5-7-9-18)23(25)15-26(2,3)27-22/h5-15,27H,16H2,1-4H3
InChIKeyKWVRSOSANRWPDI-UHFFFAOYSA-N
MW382.51 g/mol
LogP6.24
Rot. Bonds3

About 5-(2-methoxy-5-methylphenyl)-10,10-dimethyl-2-phenyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene

5-(2-methoxy-5-methylphenyl)-10,10-dimethyl-2-phenyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene (PubChem CID 71081493) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 5-(2-methoxy-5-methylphenyl)-10,10-dimethyl-2-phenyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene.

Molecular Properties

Compound Name5-(2-methoxy-5-methylphenyl)-10,10-dimethyl-2-phenyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene
PubChem CID71081493
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name5-(2-methoxy-5-methylphenyl)-10,10-dimethyl-2-phenyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene
SMILESCOc1ccc(C)cc1-c1ccc2c3c1CN(c1ccccc1)C3=CC(C)(C)N2
InChIInChI=1S/C26H26N2O/c1-17-10-13-24(29-4)20(14-17)19-11-12-22-25-21(19)16-28(18-8-6-5-7-9-18)23(25)15-26(2,3)27-22/h5-15,27H,16H2,1-4H3
InChIKeyKWVRSOSANRWPDI-UHFFFAOYSA-N
XLogP6.24
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-methoxy-5-methylphenyl)-10,10-dimethyl-2-phenyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene with MolForge

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Related Compounds

2-(2-methoxy-5-methylphenyl)-5-[2-methoxy-5-(trifluoromethyl)phenyl]-10,10-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene
CID 71081498
[3-methoxy-4-[2-(2-methoxyphenyl)-10,10-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraen-5-yl]phenyl] methyl carbonate
CID 89130073
[3-methoxy-4-[2-(2-methoxyphenyl)-10,10-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraen-5-yl]phenyl] cyclopropanesulfinate
CID 121274750
5-(chloromethyl)-6-(2-methoxy-5-methylphenyl)-2,2,4-trimethyl-1H-quinoline
CID 58026827
[3-methoxy-4-[2-(2-methoxyphenyl)-10,10-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraen-5-yl]phenyl] cyclopentanesulfonate
CID 88944445
[4-[2-(5-fluoro-2-methylphenyl)-10,10-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraen-5-yl]-3-methoxyphenyl] methanesulfonate
CID 88877924
[3-methoxy-4-[2-(2-methoxyphenyl)-10,10-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraen-5-yl]phenyl] 2-nitrobenzoate
CID 70658630
[4-[2-(5-fluoro-2-methylphenyl)-10,10-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraen-5-yl]-3-methoxyphenyl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate
CID 70658524
N-[[6-(5-chloro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methyl]aniline
CID 58027027
6-(2-methoxyphenyl)-2,2,4-trimethyl-1H-quinoline-5-carbaldehyde
CID 142025737
4-ethyl-2,2,6-trimethyl-1H-quinoline
CID 54180937
6-(2-methoxyphenyl)-2,2,4-trimethyl-5-(phenylsulfanylmethyl)-1H-quinoline
CID 16660985

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-5-methylphenyl)-10,10-dimethyl-2-phenyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene?
The IUPAC name of 5-(2-methoxy-5-methylphenyl)-10,10-dimethyl-2-phenyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene (CID 71081493) is 5-(2-methoxy-5-methylphenyl)-10,10-dimethyl-2-phenyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene.
What is the SMILES notation for 5-(2-methoxy-5-methylphenyl)-10,10-dimethyl-2-phenyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene?
The canonical SMILES for 5-(2-methoxy-5-methylphenyl)-10,10-dimethyl-2-phenyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene is COc1ccc(C)cc1-c1ccc2c3c1CN(c1ccccc1)C3=CC(C)(C)N2.
What is the InChIKey of 5-(2-methoxy-5-methylphenyl)-10,10-dimethyl-2-phenyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene?
The InChIKey is KWVRSOSANRWPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O/c1-17-10-13-24(29-4)20(14-17)19-11-12-22-25-21(19)16-28(18-8-6-5-7-9-18)23(25)15-26(2,3)27-22/h5-15,27H,16H2,1-4H3.
What are the key properties of 5-(2-methoxy-5-methylphenyl)-10,10-dimethyl-2-phenyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene?
5-(2-methoxy-5-methylphenyl)-10,10-dimethyl-2-phenyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene has a molecular weight of 382.51 g/mol, XLogP of 6.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-5-methylphenyl)-10,10-dimethyl-2-phenyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene is sourced from PubChem (CID 71081493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).