7-(2,6-dimethylphenyl)-6-(6-methyl-3-pyridinyl)-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene

C27H27N3 — CID 140756453

IUPAC7-(2,6-dimethylphenyl)-6-(6-methyl-3-pyridinyl)-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene
SMILESCc1ccc(-c2nc3cc4c(cc3n2-c2c(C)cccc2C)C2CCC4CC2)cn1
InChIInChI=1S/C27H27N3/c1-16-5-4-6-17(2)26(16)30-25-14-23-20-11-9-19(10-12-20)22(23)13-24(25)29-27(30)21-8-7-18(3)28-15-21/h4-8,13-15,19-20H,9-12H2,1-3H3
InChIKeyOHNHSQWYGWEFIR-UHFFFAOYSA-N
MW393.53 g/mol
LogP6.77
Rot. Bonds2

About 7-(2,6-dimethylphenyl)-6-(6-methyl-3-pyridinyl)-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene

7-(2,6-dimethylphenyl)-6-(6-methyl-3-pyridinyl)-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene (PubChem CID 140756453) has the molecular formula C27H27N3 and a molecular weight of 393.53 g/mol. Its IUPAC name is 7-(2,6-dimethylphenyl)-6-(6-methyl-3-pyridinyl)-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene.

Molecular Properties

Compound Name7-(2,6-dimethylphenyl)-6-(6-methyl-3-pyridinyl)-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene
PubChem CID140756453
Molecular FormulaC27H27N3
Molecular Weight393.53 g/mol
Exact Mass393.22
IUPAC Name7-(2,6-dimethylphenyl)-6-(6-methyl-3-pyridinyl)-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene
SMILESCc1ccc(-c2nc3cc4c(cc3n2-c2c(C)cccc2C)C2CCC4CC2)cn1
InChIInChI=1S/C27H27N3/c1-16-5-4-6-17(2)26(16)30-25-14-23-20-11-9-19(10-12-20)22(23)13-24(25)29-27(30)21-8-7-18(3)28-15-21/h4-8,13-15,19-20H,9-12H2,1-3H3
InChIKeyOHNHSQWYGWEFIR-UHFFFAOYSA-N
XLogP6.77
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(2,6-dimethylphenyl)-6-(6-methyl-3-pyridinyl)-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene with MolForge

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Related Compounds

7-(2,6-dimethylphenyl)-6-phenyl-5,7-diazatetracyclo[9.3.2.02,10.04,8]hexadeca-2,4(8),5,9-tetraene;iridium
CID 140756461
12-(2,6-dimethylphenyl)-11-phenyl-14-oxa-10,12-diazatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6,9(13),10-pentaene;ethane;4-(6-methyl-3-pyridinyl)-5-phenyl-3,5-diazatricyclo[5.2.1.02,6]deca-2(6),3-diene
CID 144883025
3-(2,6-dimethylphenyl)-2-(2,6-dimethyl-3-pyridinyl)-6-(trideuteriomethyl)imidazo[4,5-c]pyridine
CID 176652032
6,6,8,8-tetramethyl-2-(6-methyl-3-pyridinyl)-1-phenyl-7H-cyclopenta[e]benzimidazole
CID 140677098
5-[3-[3,5-bis[3-(6-methyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-methylpyridine
CID 59412018
7-(2,6-dimethylphenyl)-1,11-dimethyl-6-phenyl-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene;iridium
CID 140756565
2-cyclopropyl-4-(6-methyl-3-pyridinyl)-1,3-thiazol-5-amine
CID 104823306
4-methyl-2-(4-tricyclo[6.2.2.02,7]dodeca-2(7),3,5-trienyl)pyridine
CID 118231072
7-cyclopropyl-1-(6-methyl-3-pyridinyl)indol-5-amine
CID 86720021
1-amino-3-[3-cyclopropyl-2-[[2-methyl-4-(6-methyl-3-pyridinyl)phenoxy]methyl]phenyl]urea
CID 144772839
3-(2,6-dimethylphenyl)-2-[4-[4-[4-[4-[3-(2,6-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;3-(2-methylphenyl)-2-[3-[3-[4-[4-[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine;3-phenyl-2-[3-[4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]phenyl]imidazo[4,5-b]pyridine
CID 160859064
2-(2,4-difluoro-6-methylphenyl)-1-(2,6-dimethylphenyl)benzimidazole
CID 170293570

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dimethylphenyl)-6-(6-methyl-3-pyridinyl)-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene?
The IUPAC name of 7-(2,6-dimethylphenyl)-6-(6-methyl-3-pyridinyl)-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene (CID 140756453) is 7-(2,6-dimethylphenyl)-6-(6-methyl-3-pyridinyl)-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene.
What is the SMILES notation for 7-(2,6-dimethylphenyl)-6-(6-methyl-3-pyridinyl)-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene?
The canonical SMILES for 7-(2,6-dimethylphenyl)-6-(6-methyl-3-pyridinyl)-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene is Cc1ccc(-c2nc3cc4c(cc3n2-c2c(C)cccc2C)C2CCC4CC2)cn1.
What is the InChIKey of 7-(2,6-dimethylphenyl)-6-(6-methyl-3-pyridinyl)-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene?
The InChIKey is OHNHSQWYGWEFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3/c1-16-5-4-6-17(2)26(16)30-25-14-23-20-11-9-19(10-12-20)22(23)13-24(25)29-27(30)21-8-7-18(3)28-15-21/h4-8,13-15,19-20H,9-12H2,1-3H3.
What are the key properties of 7-(2,6-dimethylphenyl)-6-(6-methyl-3-pyridinyl)-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene?
7-(2,6-dimethylphenyl)-6-(6-methyl-3-pyridinyl)-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene has a molecular weight of 393.53 g/mol, XLogP of 6.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dimethylphenyl)-6-(6-methyl-3-pyridinyl)-5,7-diazatetracyclo[9.2.2.02,10.04,8]pentadeca-2,4(8),5,9-tetraene is sourced from PubChem (CID 140756453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).