8,8-dimethyl-4,6,11-triphenyl-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

C30H23N3 — CID 162778227

IUPAC8,8-dimethyl-4,6,11-triphenyl-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESCC1(C)c2cc(-c3ccccc3)ncc2-c2nc(-c3ccccc3)nc(-c3ccccc3)c21
InChIInChI=1S/C30H23N3/c1-30(2)24-18-25(20-12-6-3-7-13-20)31-19-23(24)28-26(30)27(21-14-8-4-9-15-21)32-29(33-28)22-16-10-5-11-17-22/h3-19H,1-2H3
InChIKeyPWUPJCYXTQPCSH-UHFFFAOYSA-N
MW425.54 g/mol
LogP7.18
Rot. Bonds3

About 8,8-dimethyl-4,6,11-triphenyl-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

8,8-dimethyl-4,6,11-triphenyl-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (PubChem CID 162778227) has the molecular formula C30H23N3 and a molecular weight of 425.54 g/mol. Its IUPAC name is 8,8-dimethyl-4,6,11-triphenyl-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.

Molecular Properties

Compound Name8,8-dimethyl-4,6,11-triphenyl-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
PubChem CID162778227
Molecular FormulaC30H23N3
Molecular Weight425.54 g/mol
Exact Mass425.19
IUPAC Name8,8-dimethyl-4,6,11-triphenyl-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESCC1(C)c2cc(-c3ccccc3)ncc2-c2nc(-c3ccccc3)nc(-c3ccccc3)c21
InChIInChI=1S/C30H23N3/c1-30(2)24-18-25(20-12-6-3-7-13-20)31-19-23(24)28-26(30)27(21-14-8-4-9-15-21)32-29(33-28)22-16-10-5-11-17-22/h3-19H,1-2H3
InChIKeyPWUPJCYXTQPCSH-UHFFFAOYSA-N
XLogP7.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8,8-dimethyl-4,6,11-triphenyl-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene with MolForge

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Related Compounds

8,8-dimethyl-6-naphthalen-2-yl-4,11-diphenyl-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 162778183
7-dibenzofuran-4-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine;8-dibenzofuran-4-yl-5,5-dimethyl-2,4-diphenylindeno[1,2-d]pyrimidine
CID 159798811
4-chloro-6-(9,9-dimethylfluoren-1-yl)-2-phenylpyrimidine
CID 171584779
4-[4-[3-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 167344597
4-[4-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
CID 118476770
5,5-dimethyl-3-[4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]indeno[1,2-c]pyridine
CID 118650889
7-dibenzofuran-4-yl-5,5-dimethyl-2-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine
CID 118476820
2-[4-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-4,6-diphenylpyrimidine
CID 170410073
4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168776957
4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129264972
4-[3-[3-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 165152315

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-4,6,11-triphenyl-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The IUPAC name of 8,8-dimethyl-4,6,11-triphenyl-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (CID 162778227) is 8,8-dimethyl-4,6,11-triphenyl-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.
What is the SMILES notation for 8,8-dimethyl-4,6,11-triphenyl-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The canonical SMILES for 8,8-dimethyl-4,6,11-triphenyl-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is CC1(C)c2cc(-c3ccccc3)ncc2-c2nc(-c3ccccc3)nc(-c3ccccc3)c21.
What is the InChIKey of 8,8-dimethyl-4,6,11-triphenyl-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The InChIKey is PWUPJCYXTQPCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3/c1-30(2)24-18-25(20-12-6-3-7-13-20)31-19-23(24)28-26(30)27(21-14-8-4-9-15-21)32-29(33-28)22-16-10-5-11-17-22/h3-19H,1-2H3.
What are the key properties of 8,8-dimethyl-4,6,11-triphenyl-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
8,8-dimethyl-4,6,11-triphenyl-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene has a molecular weight of 425.54 g/mol, XLogP of 7.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-4,6,11-triphenyl-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is sourced from PubChem (CID 162778227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).