8,8-dimethyl-4,5-diphenyl-11-(4-phenylphenyl)-3,6,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

C35H26N4 — CID 162778163

IUPAC8,8-dimethyl-4,5-diphenyl-11-(4-phenylphenyl)-3,6,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESCC1(C)c2nc(-c3ccc(-c4ccccc4)cc3)ncc2-c2nc(-c3ccccc3)c(-c3ccccc3)nc21
InChIInChI=1S/C35H26N4/c1-35(2)32-28(22-36-34(39-32)27-20-18-24(19-21-27)23-12-6-3-7-13-23)31-33(35)38-30(26-16-10-5-11-17-26)29(37-31)25-14-8-4-9-15-25/h3-22H,1-2H3
InChIKeyZCSOABWZSRHIFK-UHFFFAOYSA-N
MW502.62 g/mol
LogP8.24
Rot. Bonds4

About 8,8-dimethyl-4,5-diphenyl-11-(4-phenylphenyl)-3,6,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

8,8-dimethyl-4,5-diphenyl-11-(4-phenylphenyl)-3,6,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (PubChem CID 162778163) has the molecular formula C35H26N4 and a molecular weight of 502.62 g/mol. Its IUPAC name is 8,8-dimethyl-4,5-diphenyl-11-(4-phenylphenyl)-3,6,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.

Molecular Properties

Compound Name8,8-dimethyl-4,5-diphenyl-11-(4-phenylphenyl)-3,6,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
PubChem CID162778163
Molecular FormulaC35H26N4
Molecular Weight502.62 g/mol
Exact Mass502.22
IUPAC Name8,8-dimethyl-4,5-diphenyl-11-(4-phenylphenyl)-3,6,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESCC1(C)c2nc(-c3ccc(-c4ccccc4)cc3)ncc2-c2nc(-c3ccccc3)c(-c3ccccc3)nc21
InChIInChI=1S/C35H26N4/c1-35(2)32-28(22-36-34(39-32)27-20-18-24(19-21-27)23-12-6-3-7-13-23)31-33(35)38-30(26-16-10-5-11-17-26)29(37-31)25-14-8-4-9-15-25/h3-22H,1-2H3
InChIKeyZCSOABWZSRHIFK-UHFFFAOYSA-N
XLogP8.24
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.62
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8,8-dimethyl-4,5-diphenyl-11-(4-phenylphenyl)-3,6,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene with MolForge

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Related Compounds

2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129265024
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129264972
5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-phenyl-2-(4-phenylphenyl)pyrimidine
CID 167177003
17,17-dimethyl-8,14-diphenyl-9,13,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;17,17-dimethyl-13,14-diphenyl-2,9,15-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;17,17-dimethyl-13-phenyl-2,9,12-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;17,17-dimethyl-13-phenyl-2,9,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene;17,17-dimethyl-14-phenyl-2,9,12-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 163517637
perchloric acid;2,4,5-triphenylpyrimidine
CID 159862899
2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine
CID 139681938
2-[7-(4,6-diphenylpyrimidin-2-yl)naphthalen-2-yl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129265022
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129264945
2-phenyl-4-(2-phenylphenyl)-5-[2-phenyl-4-(2-phenylphenyl)pyrimidin-5-yl]pyrimidine
CID 58947716
4-methyl-2-[4-methyl-2-[4-methyl-2-(4-methyl-2-phenylpyrimidin-5-yl)pyrimidin-5-yl]pyrimidin-5-yl]-5-phenylpyrimidine
CID 58281695
8-methyl-2-phenyl-6,7-dihydro-5H-quinazolin-8-amine
CID 115043186
2-[3-(9,9-dimethylfluoren-2-yl)-5-phenylphenyl]-4-phenyl-5-pyridin-3-ylpyrimidine
CID 155089035

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-4,5-diphenyl-11-(4-phenylphenyl)-3,6,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The IUPAC name of 8,8-dimethyl-4,5-diphenyl-11-(4-phenylphenyl)-3,6,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (CID 162778163) is 8,8-dimethyl-4,5-diphenyl-11-(4-phenylphenyl)-3,6,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.
What is the SMILES notation for 8,8-dimethyl-4,5-diphenyl-11-(4-phenylphenyl)-3,6,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The canonical SMILES for 8,8-dimethyl-4,5-diphenyl-11-(4-phenylphenyl)-3,6,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is CC1(C)c2nc(-c3ccc(-c4ccccc4)cc3)ncc2-c2nc(-c3ccccc3)c(-c3ccccc3)nc21.
What is the InChIKey of 8,8-dimethyl-4,5-diphenyl-11-(4-phenylphenyl)-3,6,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The InChIKey is ZCSOABWZSRHIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N4/c1-35(2)32-28(22-36-34(39-32)27-20-18-24(19-21-27)23-12-6-3-7-13-23)31-33(35)38-30(26-16-10-5-11-17-26)29(37-31)25-14-8-4-9-15-25/h3-22H,1-2H3.
What are the key properties of 8,8-dimethyl-4,5-diphenyl-11-(4-phenylphenyl)-3,6,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
8,8-dimethyl-4,5-diphenyl-11-(4-phenylphenyl)-3,6,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene has a molecular weight of 502.62 g/mol, XLogP of 8.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-4,5-diphenyl-11-(4-phenylphenyl)-3,6,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is sourced from PubChem (CID 162778163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).