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

C34H25N3 — CID 162778183

IUPAC8,8-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
SMILESCC1(C)c2cc(-c3ccccc3)ncc2-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3)c21
InChIInChI=1S/C34H25N3/c1-34(2)28-20-29(23-12-5-3-6-13-23)35-21-27(28)32-30(34)31(36-33(37-32)24-14-7-4-8-15-24)26-18-17-22-11-9-10-16-25(22)19-26/h3-21H,1-2H3
InChIKeyVNLCPYKMXBCXJU-UHFFFAOYSA-N
MW475.60 g/mol
LogP8.33
Rot. Bonds3

About 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

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 (PubChem CID 162778183) has the molecular formula C34H25N3 and a molecular weight of 475.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8,8-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
PubChem CID162778183
Molecular FormulaC34H25N3
Molecular Weight475.60 g/mol
Exact Mass475.20
IUPAC Name8,8-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
SMILESCC1(C)c2cc(-c3ccccc3)ncc2-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3)c21
InChIInChI=1S/C34H25N3/c1-34(2)28-20-29(23-12-5-3-6-13-23)35-21-27(28)32-30(34)31(36-33(37-32)24-14-7-4-8-15-24)26-18-17-22-11-9-10-16-25(22)19-26/h3-21H,1-2H3
InChIKeyVNLCPYKMXBCXJU-UHFFFAOYSA-N
XLogP8.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.60
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
5,5-dimethyl-3-naphthalen-2-ylindeno[1,2-c]pyridine
CID 59182949
4-(11,11-dimethyl-6-naphthalen-2-ylbenzo[a]fluoren-9-yl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 170411240
3-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline
CID 118543537
4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-6-naphthalen-2-yl-2-(4-phenylphenyl)pyrimidine
CID 168778841
2-[3-[3-(9,9-dimethyl-3-naphthalen-2-ylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine;4-[3-[3-(9,9-dimethyl-3-naphthalen-2-ylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3-[3-(9,9-dimethyl-3-naphthalen-2-ylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 158103642
4-(3-dibenzofuran-2-ylphenyl)-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine;5,5-dimethyl-8-(4-naphthalen-2-ylphenyl)-2,4-diphenylindeno[1,2-d]pyrimidine;5,5-dimethyl-4-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylindeno[1,2-d]pyrimidine
CID 157250240
2-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154613745
9,9-dimethyl-2-naphthalen-2-yl-7-[3-(4-phenylphenyl)phenyl]fluorene
CID 59217136
2-[9,9-dimethyl-7-(6-naphthalen-2-ylnaphthalen-2-yl)fluoren-2-yl]-9,9-dimethyl-7-(3-phenylphenyl)fluorene
CID 123207992
4-[4-(11,11-dimethylbenzo[a]fluoren-9-yl)naphthalen-1-yl]-2,6-diphenylpyrimidine
CID 168776957
4-[4-[4-(11,11-dimethylbenzo[h]fluoren-1-yl)naphthalen-1-yl]naphthalen-1-yl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 168778651

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(-c3ccccc3)ncc2-c2nc(-c3ccccc3)nc(-c3ccc4ccccc4c3)c21.
What is the InChIKey of 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?
The InChIKey is VNLCPYKMXBCXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25N3/c1-34(2)28-20-29(23-12-5-3-6-13-23)35-21-27(28)32-30(34)31(36-33(37-32)24-14-7-4-8-15-24)26-18-17-22-11-9-10-16-25(22)19-26/h3-21H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 475.60 g/mol, XLogP of 8.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162778183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).