10-cyclohexyl-11,12-diphenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene

C26H26N4 — CID 165413450

IUPAC10-cyclohexyl-11,12-diphenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene
SMILESC1=Nc2c(c(-c3ccccc3)c(-c3ccccc3)n2C2CCCCC2)C2=NCCN12
InChIInChI=1S/C26H26N4/c1-4-10-19(11-5-1)22-23-25-27-16-17-29(25)18-28-26(23)30(21-14-8-3-9-15-21)24(22)20-12-6-2-7-13-20/h1-2,4-7,10-13,18,21H,3,8-9,14-17H2
InChIKeyCFLXTXFJKLWPJA-UHFFFAOYSA-N
MW394.52 g/mol
LogP6.06
Rot. Bonds3

About 10-cyclohexyl-11,12-diphenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene

10-cyclohexyl-11,12-diphenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene (PubChem CID 165413450) has the molecular formula C26H26N4 and a molecular weight of 394.52 g/mol. Its IUPAC name is 10-cyclohexyl-11,12-diphenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene.

Molecular Properties

Compound Name10-cyclohexyl-11,12-diphenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene
PubChem CID165413450
Molecular FormulaC26H26N4
Molecular Weight394.52 g/mol
Exact Mass394.22
IUPAC Name10-cyclohexyl-11,12-diphenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene
SMILESC1=Nc2c(c(-c3ccccc3)c(-c3ccccc3)n2C2CCCCC2)C2=NCCN12
InChIInChI=1S/C26H26N4/c1-4-10-19(11-5-1)22-23-25-27-16-17-29(25)18-28-26(23)30(21-14-8-3-9-15-21)24(22)20-12-6-2-7-13-20/h1-2,4-7,10-13,18,21H,3,8-9,14-17H2
InChIKeyCFLXTXFJKLWPJA-UHFFFAOYSA-N
XLogP6.06
TPSA32.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-cyclohexyl-11,12-diphenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene?
The IUPAC name of 10-cyclohexyl-11,12-diphenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene (CID 165413450) is 10-cyclohexyl-11,12-diphenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene.
What is the SMILES notation for 10-cyclohexyl-11,12-diphenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene?
The canonical SMILES for 10-cyclohexyl-11,12-diphenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene is C1=Nc2c(c(-c3ccccc3)c(-c3ccccc3)n2C2CCCCC2)C2=NCCN12.
What is the InChIKey of 10-cyclohexyl-11,12-diphenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene?
The InChIKey is CFLXTXFJKLWPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4/c1-4-10-19(11-5-1)22-23-25-27-16-17-29(25)18-28-26(23)30(21-14-8-3-9-15-21)24(22)20-12-6-2-7-13-20/h1-2,4-7,10-13,18,21H,3,8-9,14-17H2.
What are the key properties of 10-cyclohexyl-11,12-diphenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene?
10-cyclohexyl-11,12-diphenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene has a molecular weight of 394.52 g/mol, XLogP of 6.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-cyclohexyl-11,12-diphenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene is sourced from PubChem (CID 165413450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).