7,7-dimethyl-4,10-bis(2,4,6-trimethylphenyl)-5,9-diazatricyclo[6.3.0.02,6]undeca-1,3,5,8,10-pentaene

C29H30N2 — CID 139115765

IUPAC7,7-dimethyl-4,10-bis(2,4,6-trimethylphenyl)-5,9-diazatricyclo[6.3.0.02,6]undeca-1,3,5,8,10-pentaene
SMILESCc1cc(C)c(C2=CC3=C4C=C(c5c(C)cc(C)cc5C)N=C4C(C)(C)C3=N2)c(C)c1
InChIInChI=1S/C29H30N2/c1-15-9-17(3)25(18(4)10-15)23-13-21-22-14-24(26-19(5)11-16(2)12-20(26)6)31-28(22)29(7,8)27(21)30-23/h9-14H,1-8H3
InChIKeyYZZJYWWDDAQLSQ-UHFFFAOYSA-N
MW406.57 g/mol
LogP7.16
Rot. Bonds2

About 7,7-dimethyl-4,10-bis(2,4,6-trimethylphenyl)-5,9-diazatricyclo[6.3.0.02,6]undeca-1,3,5,8,10-pentaene

7,7-dimethyl-4,10-bis(2,4,6-trimethylphenyl)-5,9-diazatricyclo[6.3.0.02,6]undeca-1,3,5,8,10-pentaene (PubChem CID 139115765) has the molecular formula C29H30N2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 7,7-dimethyl-4,10-bis(2,4,6-trimethylphenyl)-5,9-diazatricyclo[6.3.0.02,6]undeca-1,3,5,8,10-pentaene.

Molecular Properties

Compound Name7,7-dimethyl-4,10-bis(2,4,6-trimethylphenyl)-5,9-diazatricyclo[6.3.0.02,6]undeca-1,3,5,8,10-pentaene
PubChem CID139115765
Molecular FormulaC29H30N2
Molecular Weight406.57 g/mol
Exact Mass406.24
IUPAC Name7,7-dimethyl-4,10-bis(2,4,6-trimethylphenyl)-5,9-diazatricyclo[6.3.0.02,6]undeca-1,3,5,8,10-pentaene
SMILESCc1cc(C)c(C2=CC3=C4C=C(c5c(C)cc(C)cc5C)N=C4C(C)(C)C3=N2)c(C)c1
InChIInChI=1S/C29H30N2/c1-15-9-17(3)25(18(4)10-15)23-13-21-22-14-24(26-19(5)11-16(2)12-20(26)6)31-28(22)29(7,8)27(21)30-23/h9-14H,1-8H3
InChIKeyYZZJYWWDDAQLSQ-UHFFFAOYSA-N
XLogP7.16
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7,7-dimethyl-4,10-bis(2,4,6-trimethylphenyl)-5,9-diazatricyclo[6.3.0.02,6]undeca-1,3,5,8,10-pentaene with MolForge

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Related Compounds

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CID 130179672
2-Naphthalen-2-ylcyclopenta[b]pyrrole
CID 17855903
5,15-Bis(2,4,6-trimethylphenyl)porphyrin
CID 66593779
2,3-Bis(3,5-ditert-butylphenyl)porphyrin
CID 66626949
2-Naphthalen-1-ylcyclopenta[b]pyrrole
CID 66896042
2,3-Bis(2,4,6-trimethylphenyl)porphyrin
CID 68634405
7-(2-Cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,3,6-trimethyl-1-phenylcyclopenta[b]indole
CID 69130184
7-[2-(1H-inden-2-yl)propan-2-yl]-1,2,3,6-tetramethylcyclopenta[b]indole
CID 69151065
1,2,3,6-Tetramethyl-7-[(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)methyl]cyclopenta[b]indole
CID 69152193
3,3-dimethyl-10-(4-methylphenyl)-20-phenyl-15-(2,4,6-trimethylphenyl)-2H-porphyrin
CID 69297374
20-iodo-3,3-dimethyl-10-(4-methylphenyl)-15-(2,4,6-trimethylphenyl)-2H-porphyrin
CID 69298488
1,2,3,6-Tetramethyl-7-[2-(1,2,3,6-tetramethylcyclopenta[b]indol-7-yl)propan-2-yl]cyclopenta[b]indole
CID 69331380

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-4,10-bis(2,4,6-trimethylphenyl)-5,9-diazatricyclo[6.3.0.02,6]undeca-1,3,5,8,10-pentaene?
The IUPAC name of 7,7-dimethyl-4,10-bis(2,4,6-trimethylphenyl)-5,9-diazatricyclo[6.3.0.02,6]undeca-1,3,5,8,10-pentaene (CID 139115765) is 7,7-dimethyl-4,10-bis(2,4,6-trimethylphenyl)-5,9-diazatricyclo[6.3.0.02,6]undeca-1,3,5,8,10-pentaene.
What is the SMILES notation for 7,7-dimethyl-4,10-bis(2,4,6-trimethylphenyl)-5,9-diazatricyclo[6.3.0.02,6]undeca-1,3,5,8,10-pentaene?
The canonical SMILES for 7,7-dimethyl-4,10-bis(2,4,6-trimethylphenyl)-5,9-diazatricyclo[6.3.0.02,6]undeca-1,3,5,8,10-pentaene is Cc1cc(C)c(C2=CC3=C4C=C(c5c(C)cc(C)cc5C)N=C4C(C)(C)C3=N2)c(C)c1.
What is the InChIKey of 7,7-dimethyl-4,10-bis(2,4,6-trimethylphenyl)-5,9-diazatricyclo[6.3.0.02,6]undeca-1,3,5,8,10-pentaene?
The InChIKey is YZZJYWWDDAQLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2/c1-15-9-17(3)25(18(4)10-15)23-13-21-22-14-24(26-19(5)11-16(2)12-20(26)6)31-28(22)29(7,8)27(21)30-23/h9-14H,1-8H3.
What are the key properties of 7,7-dimethyl-4,10-bis(2,4,6-trimethylphenyl)-5,9-diazatricyclo[6.3.0.02,6]undeca-1,3,5,8,10-pentaene?
7,7-dimethyl-4,10-bis(2,4,6-trimethylphenyl)-5,9-diazatricyclo[6.3.0.02,6]undeca-1,3,5,8,10-pentaene has a molecular weight of 406.57 g/mol, XLogP of 7.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-4,10-bis(2,4,6-trimethylphenyl)-5,9-diazatricyclo[6.3.0.02,6]undeca-1,3,5,8,10-pentaene is sourced from PubChem (CID 139115765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).