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

C122H93N15 — CID 163517637

IUPAC17,17-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
SMILESCC1(C)c2cc(-c3ccccc3)cnc2-c2nc3ccccc3nc21.CC1(C)c2ccc(-c3ccccc3)nc2-c2nc3ccccc3nc21.CC1(C)c2cnc(-c3ccccc3)cc2-c2nc3ccccc3nc21.CC1(C)c2nc(-c3ccccc3)c(-c3ccccc3)cc2-c2nc3ccccc3nc21.CC1(C)c2nc(-c3ccccc3)ncc2-c2nc(-c3ccccc3)c3ccccc3c21
InChIInChI=1S/2C28H21N3.3C22H17N3/c1-28(2)26-21(25-27(28)30-23-16-10-9-15-22(23)29-25)17-20(18-11-5-3-6-12-18)24(31-26)19-13-7-4-8-14-19;1-28(2)23-20-15-9-10-16-21(20)24(18-11-5-3-6-12-18)30-25(23)22-17-29-27(31-26(22)28)19-13-7-4-8-14-19;1-22(2)16-13-23-19(14-8-4-3-5-9-14)12-15(16)20-21(22)25-18-11-7-6-10-17(18)24-20;1-22(2)16-12-15(14-8-4-3-5-9-14)13-23-19(16)20-21(22)25-18-11-7-6-10-17(18)24-20;1-22(2)15-12-13-16(14-8-4-3-5-9-14)23-19(15)20-21(22)25-18-11-7-6-10-17(18)24-20/h2*3-17H,1-2H3;3*3-13H,1-2H3
InChIKeyDICQKWLLFMKJFA-UHFFFAOYSA-N
MW1769.19 g/mol
LogP28.32
Rot. Bonds7

About 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

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 (PubChem CID 163517637) has the molecular formula C122H93N15 and a molecular weight of 1769.19 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name17,17-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
PubChem CID163517637
Molecular FormulaC122H93N15
Molecular Weight1769.19 g/mol
Exact Mass1767.77
IUPAC Name17,17-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
SMILESCC1(C)c2cc(-c3ccccc3)cnc2-c2nc3ccccc3nc21.CC1(C)c2ccc(-c3ccccc3)nc2-c2nc3ccccc3nc21.CC1(C)c2cnc(-c3ccccc3)cc2-c2nc3ccccc3nc21.CC1(C)c2nc(-c3ccccc3)c(-c3ccccc3)cc2-c2nc3ccccc3nc21.CC1(C)c2nc(-c3ccccc3)ncc2-c2nc(-c3ccccc3)c3ccccc3c21
InChIInChI=1S/2C28H21N3.3C22H17N3/c1-28(2)26-21(25-27(28)30-23-16-10-9-15-22(23)29-25)17-20(18-11-5-3-6-12-18)24(31-26)19-13-7-4-8-14-19;1-28(2)23-20-15-9-10-16-21(20)24(18-11-5-3-6-12-18)30-25(23)22-17-29-27(31-26(22)28)19-13-7-4-8-14-19;1-22(2)16-13-23-19(14-8-4-3-5-9-14)12-15(16)20-21(22)25-18-11-7-6-10-17(18)24-20;1-22(2)16-12-15(14-8-4-3-5-9-14)13-23-19(16)20-21(22)25-18-11-7-6-10-17(18)24-20;1-22(2)15-12-13-16(14-8-4-3-5-9-14)23-19(15)20-21(22)25-18-11-7-6-10-17(18)24-20/h2*3-17H,1-2H3;3*3-13H,1-2H3
InChIKeyDICQKWLLFMKJFA-UHFFFAOYSA-N
XLogP28.32
TPSA193.35 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001769.19
LogP ≤ 528.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

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
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
8,8-dimethyl-5-naphthalen-2-yl-11-[2-phenyl-6-(4-pyren-1-ylphenyl)pyrimidin-4-yl]-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 59217270
2-[4-(4,6-diphenylpyrimidin-2-yl)naphthalen-1-yl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129264966
2-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129264972
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129264945
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129265024
4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-naphthalen-1-ylquinazoline
CID 163860497
6-[5-[3-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine
CID 176819205
4-[4-[4-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]phenyl]-2-phenyl-6-(6-phenyl-3-pyridinyl)pyrimidine
CID 146632037
6-[5-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-2-pyridinyl]phenanthridine
CID 176819218
6-[5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]phenanthridine
CID 176819149

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(-c3ccccc3)cnc2-c2nc3ccccc3nc21.CC1(C)c2ccc(-c3ccccc3)nc2-c2nc3ccccc3nc21.CC1(C)c2cnc(-c3ccccc3)cc2-c2nc3ccccc3nc21.CC1(C)c2nc(-c3ccccc3)c(-c3ccccc3)cc2-c2nc3ccccc3nc21.CC1(C)c2nc(-c3ccccc3)ncc2-c2nc(-c3ccccc3)c3ccccc3c21.
What is the InChIKey of 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?
The InChIKey is DICQKWLLFMKJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H21N3.3C22H17N3/c1-28(2)26-21(25-27(28)30-23-16-10-9-15-22(23)29-25)17-20(18-11-5-3-6-12-18)24(31-26)19-13-7-4-8-14-19;1-28(2)23-20-15-9-10-16-21(20)24(18-11-5-3-6-12-18)30-25(23)22-17-29-27(31-26(22)28)19-13-7-4-8-14-19;1-22(2)16-13-23-19(14-8-4-3-5-9-14)12-15(16)20-21(22)25-18-11-7-6-10-17(18)24-20;1-22(2)16-12-15(14-8-4-3-5-9-14)13-23-19(16)20-21(22)25-18-11-7-6-10-17(18)24-20;1-22(2)15-12-13-16(14-8-4-3-5-9-14)23-19(15)20-21(22)25-18-11-7-6-10-17(18)24-20/h2*3-17H,1-2H3;3*3-13H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1769.19 g/mol, XLogP of 28.32, 7 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163517637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).