8-(2,6-dimethylphenyl)-3-(2,2-dimethylpropyl)-4-(2-methylbutan-2-yl)-3,5,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,8,10,12,14-heptaene

C30H36N4 — CID 58162820

IUPAC8-(2,6-dimethylphenyl)-3-(2,2-dimethylpropyl)-4-(2-methylbutan-2-yl)-3,5,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,8,10,12,14-heptaene
SMILESCCC(C)(C)c1nc2c(c3ccccc3c3ncc(-c4c(C)cccc4C)n32)n1CC(C)(C)C
InChIInChI=1S/C30H36N4/c1-9-30(7,8)28-32-27-25(33(28)18-29(4,5)6)21-15-10-11-16-22(21)26-31-17-23(34(26)27)24-19(2)13-12-14-20(24)3/h10-17H,9,18H2,1-8H3
InChIKeyOJVZKCDXKSSVSQ-UHFFFAOYSA-N
MW452.65 g/mol
LogP7.85
Rot. Bonds4

About 8-(2,6-dimethylphenyl)-3-(2,2-dimethylpropyl)-4-(2-methylbutan-2-yl)-3,5,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,8,10,12,14-heptaene

8-(2,6-dimethylphenyl)-3-(2,2-dimethylpropyl)-4-(2-methylbutan-2-yl)-3,5,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,8,10,12,14-heptaene (PubChem CID 58162820) has the molecular formula C30H36N4 and a molecular weight of 452.65 g/mol. Its IUPAC name is 8-(2,6-dimethylphenyl)-3-(2,2-dimethylpropyl)-4-(2-methylbutan-2-yl)-3,5,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,8,10,12,14-heptaene.

Molecular Properties

Compound Name8-(2,6-dimethylphenyl)-3-(2,2-dimethylpropyl)-4-(2-methylbutan-2-yl)-3,5,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,8,10,12,14-heptaene
PubChem CID58162820
Molecular FormulaC30H36N4
Molecular Weight452.65 g/mol
Exact Mass452.29
IUPAC Name8-(2,6-dimethylphenyl)-3-(2,2-dimethylpropyl)-4-(2-methylbutan-2-yl)-3,5,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,8,10,12,14-heptaene
SMILESCCC(C)(C)c1nc2c(c3ccccc3c3ncc(-c4c(C)cccc4C)n32)n1CC(C)(C)C
InChIInChI=1S/C30H36N4/c1-9-30(7,8)28-32-27-25(33(28)18-29(4,5)6)21-15-10-11-16-22(21)26-31-17-23(34(26)27)24-19(2)13-12-14-20(24)3/h10-17H,9,18H2,1-8H3
InChIKeyOJVZKCDXKSSVSQ-UHFFFAOYSA-N
XLogP7.85
TPSA35.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.65
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(2,6-dimethylphenyl)-3-(2,2-dimethylpropyl)-4-(2-methylbutan-2-yl)-3,5,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,8,10,12,14-heptaene with MolForge

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Related Compounds

24-(2,6-dimethylphenyl)-22,25-diazahexacyclo[12.11.0.02,11.05,10.015,20.021,25]pentacosa-1(14),2(11),3,5,7,9,12,15,17,19,21,23-dodecaene
CID 140949125
3-(2,6-dimethylphenyl)-7,10-dimethylimidazo[1,2-f]phenanthridine
CID 142744310
3-(2,6-dimethylphenyl)-2,5,16,19-tetrazapentacyclo[11.8.0.02,6.07,12.015,20]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene
CID 140948797
3-(2,6-dimethylphenyl)-7-(2,2-dimethylpropyl)-6,10-difluoroimidazo[1,2-f]phenanthridine
CID 140584992
3,16-bis(2,6-dimethylphenyl)-9-[3-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxy-2,5,17-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 154610768
3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine
CID 58162799
7-methyl-3-(2,3,4,5,6-pentamethylphenyl)imidazo[1,2-f]phenanthridine
CID 58163242
3-(2,6-diethylphenyl)-2,5,13,20-tetrazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(20),3,5,7,9,11,14,16,18-nonaene
CID 140949690
3-(2,6-dimethylphenyl)-11-[5-(2,6-dimethylphenyl)imidazo[1,2-f]phenanthridin-11-yl]oxyimidazo[1,2-f]phenanthridine
CID 154610637
3-(2,6-diethylphenyl)-2,5,14,16-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7,9,11,13,15-octaene
CID 140949051
10-benzyl-3-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
CID 59358314
3,5-dibromoimidazo[1,2-f]phenanthridine
CID 118915715

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dimethylphenyl)-3-(2,2-dimethylpropyl)-4-(2-methylbutan-2-yl)-3,5,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,8,10,12,14-heptaene?
The IUPAC name of 8-(2,6-dimethylphenyl)-3-(2,2-dimethylpropyl)-4-(2-methylbutan-2-yl)-3,5,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,8,10,12,14-heptaene (CID 58162820) is 8-(2,6-dimethylphenyl)-3-(2,2-dimethylpropyl)-4-(2-methylbutan-2-yl)-3,5,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,8,10,12,14-heptaene.
What is the SMILES notation for 8-(2,6-dimethylphenyl)-3-(2,2-dimethylpropyl)-4-(2-methylbutan-2-yl)-3,5,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,8,10,12,14-heptaene?
The canonical SMILES for 8-(2,6-dimethylphenyl)-3-(2,2-dimethylpropyl)-4-(2-methylbutan-2-yl)-3,5,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,8,10,12,14-heptaene is CCC(C)(C)c1nc2c(c3ccccc3c3ncc(-c4c(C)cccc4C)n32)n1CC(C)(C)C.
What is the InChIKey of 8-(2,6-dimethylphenyl)-3-(2,2-dimethylpropyl)-4-(2-methylbutan-2-yl)-3,5,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,8,10,12,14-heptaene?
The InChIKey is OJVZKCDXKSSVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4/c1-9-30(7,8)28-32-27-25(33(28)18-29(4,5)6)21-15-10-11-16-22(21)26-31-17-23(34(26)27)24-19(2)13-12-14-20(24)3/h10-17H,9,18H2,1-8H3.
What are the key properties of 8-(2,6-dimethylphenyl)-3-(2,2-dimethylpropyl)-4-(2-methylbutan-2-yl)-3,5,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,8,10,12,14-heptaene?
8-(2,6-dimethylphenyl)-3-(2,2-dimethylpropyl)-4-(2-methylbutan-2-yl)-3,5,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,8,10,12,14-heptaene has a molecular weight of 452.65 g/mol, XLogP of 7.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dimethylphenyl)-3-(2,2-dimethylpropyl)-4-(2-methylbutan-2-yl)-3,5,7,10-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,8,10,12,14-heptaene is sourced from PubChem (CID 58162820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).