4-cyclohexyl-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene

C23H27N3O — CID 5131399

IUPAC4-cyclohexyl-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
SMILESCc1ccc(-c2cc3c4c(C)n(C5CCCCC5)c(C)c4c(C)nn3c2)o1
InChIInChI=1S/C23H27N3O/c1-14-10-11-21(27-14)18-12-20-23-17(4)26(19-8-6-5-7-9-19)16(3)22(23)15(2)24-25(20)13-18/h10-13,19H,5-9H2,1-4H3
InChIKeyMMJCLPOWHWQWFG-UHFFFAOYSA-N
MW361.49 g/mol
LogP6.29
Rot. Bonds2

About 4-cyclohexyl-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene

4-cyclohexyl-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene (PubChem CID 5131399) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-cyclohexyl-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene.

Molecular Properties

Compound Name4-cyclohexyl-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
PubChem CID5131399
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name4-cyclohexyl-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
SMILESCc1ccc(-c2cc3c4c(C)n(C5CCCCC5)c(C)c4c(C)nn3c2)o1
InChIInChI=1S/C23H27N3O/c1-14-10-11-21(27-14)18-12-20-23-17(4)26(19-8-6-5-7-9-19)16(3)22(23)15(2)24-25(20)13-18/h10-13,19H,5-9H2,1-4H3
InChIKeyMMJCLPOWHWQWFG-UHFFFAOYSA-N
XLogP6.29
TPSA35.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-cyclohexyl-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The IUPAC name of 4-cyclohexyl-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene (CID 5131399) is 4-cyclohexyl-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene.
What is the SMILES notation for 4-cyclohexyl-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The canonical SMILES for 4-cyclohexyl-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene is Cc1ccc(-c2cc3c4c(C)n(C5CCCCC5)c(C)c4c(C)nn3c2)o1.
What is the InChIKey of 4-cyclohexyl-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
The InChIKey is MMJCLPOWHWQWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-14-10-11-21(27-14)18-12-20-23-17(4)26(19-8-6-5-7-9-19)16(3)22(23)15(2)24-25(20)13-18/h10-13,19H,5-9H2,1-4H3.
What are the key properties of 4-cyclohexyl-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene?
4-cyclohexyl-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene has a molecular weight of 361.49 g/mol, XLogP of 6.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3,5,7-trimethyl-11-(5-methylfuran-2-yl)-4,8,9-triazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene is sourced from PubChem (CID 5131399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).