6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene

C26H20N6 — CID 11165952

IUPAC6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
SMILESCc1nn(-c2ccccc2)c2nc3c(c(C)nn3-c3ccccc3)c(-c3ccccn3)c12
InChIInChI=1S/C26H20N6/c1-17-22-24(21-15-9-10-16-27-21)23-18(2)30-32(20-13-7-4-8-14-20)26(23)28-25(22)31(29-17)19-11-5-3-6-12-19/h3-16H,1-2H3
InChIKeyZNMVBTMSKYTPFP-UHFFFAOYSA-N
MW416.49 g/mol
LogP5.44
Rot. Bonds3

About 6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene

6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene (PubChem CID 11165952) has the molecular formula C26H20N6 and a molecular weight of 416.49 g/mol. Its IUPAC name is 6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene.

Molecular Properties

Compound Name6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
PubChem CID11165952
Molecular FormulaC26H20N6
Molecular Weight416.49 g/mol
Exact Mass416.17
IUPAC Name6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene
SMILESCc1nn(-c2ccccc2)c2nc3c(c(C)nn3-c3ccccc3)c(-c3ccccn3)c12
InChIInChI=1S/C26H20N6/c1-17-22-24(21-15-9-10-16-27-21)23-18(2)30-32(20-13-7-4-8-14-20)26(23)28-25(22)31(29-17)19-11-5-3-6-12-19/h3-16H,1-2H3
InChIKeyZNMVBTMSKYTPFP-UHFFFAOYSA-N
XLogP5.44
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.49
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene with MolForge

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Related Compounds

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CID 102454692
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CID 102196244
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CID 45123383
3-methyl-1,6-diphenylpyrazolo[3,4-b]pyrazine
CID 14067721
4-(3-methyl-5-phenoxy-1-phenylpyrazol-4-yl)-6-pyridin-2-ylpyrimidin-2-amine
CID 132534154
(E)-(3,10-dimethyl-5,15-diphenyl-4,5,7,14-tetrazatetracyclo[7.6.1.02,6.013,16]hexadeca-1,3,6,9,11,13(16),14-heptaen-8-ylidene)-phenylmethanol
CID 177409101
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CID 126743745
4-(2,3-dimethylphenyl)-3-methyl-1-phenyl-5,6,7,8-tetrahydropyrazolo[3,4-b]quinoline
CID 139233396
4-chloro-3-methyl-1-pyridin-4-ylpyrazolo[3,4-b]quinoline
CID 22320203
3-methyl-1-phenyl-6-pyridin-3-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 25247551
6-methyl-8-[3-(6-methyl-10-oxo-4-phenyl-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-8-yl)phenyl]-4-phenyl-11-oxa-2,4,5-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraen-10-one
CID 16751577

Frequently Asked Questions

What is the IUPAC name of 6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene?
The IUPAC name of 6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene (CID 11165952) is 6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene.
What is the SMILES notation for 6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene?
The canonical SMILES for 6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene is Cc1nn(-c2ccccc2)c2nc3c(c(C)nn3-c3ccccc3)c(-c3ccccn3)c12.
What is the InChIKey of 6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene?
The InChIKey is ZNMVBTMSKYTPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6/c1-17-22-24(21-15-9-10-16-27-21)23-18(2)30-32(20-13-7-4-8-14-20)26(23)28-25(22)31(29-17)19-11-5-3-6-12-19/h3-16H,1-2H3.
What are the key properties of 6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene?
6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene has a molecular weight of 416.49 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dimethyl-4,12-diphenyl-8-pyridin-2-yl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene is sourced from PubChem (CID 11165952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).