6-[3,5-bis(3,6-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4(6)-dien-5-yl)-2,4,6-trimethylphenyl]-3,5-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4-diene

C27H30N6 — CID 91203547

IUPAC6-[3,5-bis(3,6-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4(6)-dien-5-yl)-2,4,6-trimethylphenyl]-3,5-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4-diene
SMILESCc1nn2c(C)c1C2c1c(C)c(C2c3c(C)nn2c3C)c(C)c(C2c3c(C)nn2c3C)c1C
InChIInChI=1S/C27H30N6/c1-10-19(25-22-13(4)28-31(25)16(22)7)11(2)21(27-24-15(6)30-33(27)18(24)9)12(3)20(10)26-23-14(5)29-32(26)17(23)8/h25-27H,1-9H3
InChIKeyUZBPTSPMCWTLTR-UHFFFAOYSA-N
MW438.58 g/mol
LogP4.91
Rot. Bonds3

About 6-[3,5-bis(3,6-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4(6)-dien-5-yl)-2,4,6-trimethylphenyl]-3,5-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4-diene

6-[3,5-bis(3,6-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4(6)-dien-5-yl)-2,4,6-trimethylphenyl]-3,5-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4-diene (PubChem CID 91203547) has the molecular formula C27H30N6 and a molecular weight of 438.58 g/mol. Its IUPAC name is 6-[3,5-bis(3,6-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4(6)-dien-5-yl)-2,4,6-trimethylphenyl]-3,5-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4-diene.

Molecular Properties

Compound Name6-[3,5-bis(3,6-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4(6)-dien-5-yl)-2,4,6-trimethylphenyl]-3,5-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4-diene
PubChem CID91203547
Molecular FormulaC27H30N6
Molecular Weight438.58 g/mol
Exact Mass438.25
IUPAC Name6-[3,5-bis(3,6-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4(6)-dien-5-yl)-2,4,6-trimethylphenyl]-3,5-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4-diene
SMILESCc1nn2c(C)c1C2c1c(C)c(C2c3c(C)nn2c3C)c(C)c(C2c3c(C)nn2c3C)c1C
InChIInChI=1S/C27H30N6/c1-10-19(25-22-13(4)28-31(25)16(22)7)11(2)21(27-24-15(6)30-33(27)18(24)9)12(3)20(10)26-23-14(5)29-32(26)17(23)8/h25-27H,1-9H3
InChIKeyUZBPTSPMCWTLTR-UHFFFAOYSA-N
XLogP4.91
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[3,5-bis(3,6-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4(6)-dien-5-yl)-2,4,6-trimethylphenyl]-3,5-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4-diene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3,5-bis(3,6-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4(6)-dien-5-yl)-2,4,6-trimethylphenyl]-3,5-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4-diene?
The IUPAC name of 6-[3,5-bis(3,6-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4(6)-dien-5-yl)-2,4,6-trimethylphenyl]-3,5-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4-diene (CID 91203547) is 6-[3,5-bis(3,6-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4(6)-dien-5-yl)-2,4,6-trimethylphenyl]-3,5-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4-diene.
What is the SMILES notation for 6-[3,5-bis(3,6-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4(6)-dien-5-yl)-2,4,6-trimethylphenyl]-3,5-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4-diene?
The canonical SMILES for 6-[3,5-bis(3,6-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4(6)-dien-5-yl)-2,4,6-trimethylphenyl]-3,5-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4-diene is Cc1nn2c(C)c1C2c1c(C)c(C2c3c(C)nn2c3C)c(C)c(C2c3c(C)nn2c3C)c1C.
What is the InChIKey of 6-[3,5-bis(3,6-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4(6)-dien-5-yl)-2,4,6-trimethylphenyl]-3,5-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4-diene?
The InChIKey is UZBPTSPMCWTLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6/c1-10-19(25-22-13(4)28-31(25)16(22)7)11(2)21(27-24-15(6)30-33(27)18(24)9)12(3)20(10)26-23-14(5)29-32(26)17(23)8/h25-27H,1-9H3.
What are the key properties of 6-[3,5-bis(3,6-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4(6)-dien-5-yl)-2,4,6-trimethylphenyl]-3,5-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4-diene?
6-[3,5-bis(3,6-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4(6)-dien-5-yl)-2,4,6-trimethylphenyl]-3,5-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4-diene has a molecular weight of 438.58 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,5-bis(3,6-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4(6)-dien-5-yl)-2,4,6-trimethylphenyl]-3,5-dimethyl-1,2-diazabicyclo[2.1.1]hexa-2,4-diene is sourced from PubChem (CID 91203547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).