5,6-di(propan-2-yl)-1,2,3-benzotriazine;5,6-di(propan-2-yl)-1,2,4-benzotriazine;7,8-di(propan-2-yl)-1,2,3-benzotriazine;7,8-di(propan-2-yl)-1,2,4-benzotriazine;5,6-di(propan-2-yl)cinnoline;7,8-di(propan-2-yl)cinnoline;5,6-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine;5,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;5,6-di(propan-2-yl)phthalazine;5,6-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinoline;5,6-di(propan-2-yl)quinoxaline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline

C255H352N30O3 — CID 158894416

IUPAC5,6-di(propan-2-yl)-1,2,3-benzotriazine;5,6-di(propan-2-yl)-1,2,4-benzotriazine;7,8-di(propan-2-yl)-1,2,3-benzotriazine;7,8-di(propan-2-yl)-1,2,4-benzotriazine;5,6-di(propan-2-yl)cinnoline;7,8-di(propan-2-yl)cinnoline;5,6-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine;5,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;5,6-di(propan-2-yl)phthalazine;5,6-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinoline;5,6-di(propan-2-yl)quinoxaline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline
SMILESCC(C)c1ccc2c(c1C(C)C)CCCC2.CC(C)c1ccc2c(c1C(C)C)CCCN2.CC(C)c1ccc2c(c1C(C)C)CCCO2.CC(C)c1ccc2c(c1C(C)C)CNCC2.CC(C)c1ccc2c(c1C(C)C)NCCC2.CC(C)c1ccc2c(c1C(C)C)NCCN2.CC(C)c1ccc2c(c1C(C)C)OCCO2.CC(C)c1ccc2cccnc2c1C(C)C.CC(C)c1ccc2ccnnc2c1C(C)C.CC(C)c1ccc2cncnc2c1C(C)C.CC(C)c1ccc2cnncc2c1C(C)C.CC(C)c1ccc2cnnnc2c1C(C)C.CC(C)c1ccc2nccnc2c1C(C)C.CC(C)c1ccc2ncncc2c1C(C)C.CC(C)c1ccc2ncnnc2c1C(C)C.CC(C)c1ccc2nnccc2c1C(C)C.CC(C)c1ccc2nncnc2c1C(C)C.CC(C)c1ccc2nnncc2c1C(C)C
InChIInChI=1S/C16H24.3C15H23N.C15H19N.C15H22O.4C14H18N2.C14H22N2.2C14H18N2.C14H20O2.4C13H17N3/c1-11(2)14-10-9-13-7-5-6-8-15(13)16(14)12(3)4;1-10(2)13-6-5-12-7-8-16-9-14(12)15(13)11(3)4;1-10(2)12-7-8-14-13(6-5-9-16-14)15(12)11(3)4;2*1-10(2)13-8-7-12-6-5-9-16-15(12)14(13)11(3)4;1-10(2)12-7-8-14-13(6-5-9-16-14)15(12)11(3)4;1-9(2)11-5-6-13-12(7-15-8-16-13)14(11)10(3)4;1-9(2)12-6-5-11-7-15-8-16-14(11)13(12)10(3)4;1-9(2)12-6-5-11-7-15-16-8-13(11)14(12)10(3)4;1-9(2)11-5-6-13-12(7-8-15-16-13)14(11)10(3)4;2*1-9(2)11-5-6-12-14(13(11)10(3)4)16-8-7-15-12;1-9(2)12-6-5-11-7-8-15-16-14(11)13(12)10(3)4;1-9(2)11-5-6-12-14(13(11)10(3)4)16-8-7-15-12;1-8(2)10-5-6-12-11(7-14-16-15-12)13(10)9(3)4;1-8(2)10-5-6-11-13(12(10)9(3)4)14-7-15-16-11;1-8(2)10-5-6-11-13(12(10)9(3)4)16-15-7-14-11;1-8(2)11-6-5-10-7-14-16-15-13(10)12(11)9(3)4/h9-12H,5-8H2,1-4H3;5-6,10-11,16H,7-9H2,1-4H3;2*7-8,10-11,16H,5-6,9H2,1-4H3;5-11H,1-4H3;7-8,10-11H,5-6,9H2,1-4H3;4*5-10H,1-4H3;5-6,9-10,15-16H,7-8H2,1-4H3;2*5-10H,1-4H3;5-6,9-10H,7-8H2,1-4H3;4*5-9H,1-4H3
InChIKeyJEQRDCZIYOQKMV-UHFFFAOYSA-N
MW3885.83 g/mol
LogP69.54
Rot. Bonds36

About 5,6-di(propan-2-yl)-1,2,3-benzotriazine;5,6-di(propan-2-yl)-1,2,4-benzotriazine;7,8-di(propan-2-yl)-1,2,3-benzotriazine;7,8-di(propan-2-yl)-1,2,4-benzotriazine;5,6-di(propan-2-yl)cinnoline;7,8-di(propan-2-yl)cinnoline;5,6-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine;5,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;5,6-di(propan-2-yl)phthalazine;5,6-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinoline;5,6-di(propan-2-yl)quinoxaline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline

5,6-di(propan-2-yl)-1,2,3-benzotriazine;5,6-di(propan-2-yl)-1,2,4-benzotriazine;7,8-di(propan-2-yl)-1,2,3-benzotriazine;7,8-di(propan-2-yl)-1,2,4-benzotriazine;5,6-di(propan-2-yl)cinnoline;7,8-di(propan-2-yl)cinnoline;5,6-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine;5,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;5,6-di(propan-2-yl)phthalazine;5,6-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinoline;5,6-di(propan-2-yl)quinoxaline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline (PubChem CID 158894416) has the molecular formula C255H352N30O3 and a molecular weight of 3885.83 g/mol. Its IUPAC name is 5,6-di(propan-2-yl)-1,2,3-benzotriazine;5,6-di(propan-2-yl)-1,2,4-benzotriazine;7,8-di(propan-2-yl)-1,2,3-benzotriazine;7,8-di(propan-2-yl)-1,2,4-benzotriazine;5,6-di(propan-2-yl)cinnoline;7,8-di(propan-2-yl)cinnoline;5,6-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine;5,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;5,6-di(propan-2-yl)phthalazine;5,6-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinoline;5,6-di(propan-2-yl)quinoxaline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline.

Molecular Properties

Compound Name5,6-di(propan-2-yl)-1,2,3-benzotriazine;5,6-di(propan-2-yl)-1,2,4-benzotriazine;7,8-di(propan-2-yl)-1,2,3-benzotriazine;7,8-di(propan-2-yl)-1,2,4-benzotriazine;5,6-di(propan-2-yl)cinnoline;7,8-di(propan-2-yl)cinnoline;5,6-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine;5,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;5,6-di(propan-2-yl)phthalazine;5,6-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinoline;5,6-di(propan-2-yl)quinoxaline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline
PubChem CID158894416
Molecular FormulaC255H352N30O3
Molecular Weight3885.83 g/mol
Exact Mass3882.83
IUPAC Name5,6-di(propan-2-yl)-1,2,3-benzotriazine;5,6-di(propan-2-yl)-1,2,4-benzotriazine;7,8-di(propan-2-yl)-1,2,3-benzotriazine;7,8-di(propan-2-yl)-1,2,4-benzotriazine;5,6-di(propan-2-yl)cinnoline;7,8-di(propan-2-yl)cinnoline;5,6-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine;5,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;5,6-di(propan-2-yl)phthalazine;5,6-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinoline;5,6-di(propan-2-yl)quinoxaline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline
SMILESCC(C)c1ccc2c(c1C(C)C)CCCC2.CC(C)c1ccc2c(c1C(C)C)CCCN2.CC(C)c1ccc2c(c1C(C)C)CCCO2.CC(C)c1ccc2c(c1C(C)C)CNCC2.CC(C)c1ccc2c(c1C(C)C)NCCC2.CC(C)c1ccc2c(c1C(C)C)NCCN2.CC(C)c1ccc2c(c1C(C)C)OCCO2.CC(C)c1ccc2cccnc2c1C(C)C.CC(C)c1ccc2ccnnc2c1C(C)C.CC(C)c1ccc2cncnc2c1C(C)C.CC(C)c1ccc2cnncc2c1C(C)C.CC(C)c1ccc2cnnnc2c1C(C)C.CC(C)c1ccc2nccnc2c1C(C)C.CC(C)c1ccc2ncncc2c1C(C)C.CC(C)c1ccc2ncnnc2c1C(C)C.CC(C)c1ccc2nnccc2c1C(C)C.CC(C)c1ccc2nncnc2c1C(C)C.CC(C)c1ccc2nnncc2c1C(C)C
InChIInChI=1S/C16H24.3C15H23N.C15H19N.C15H22O.4C14H18N2.C14H22N2.2C14H18N2.C14H20O2.4C13H17N3/c1-11(2)14-10-9-13-7-5-6-8-15(13)16(14)12(3)4;1-10(2)13-6-5-12-7-8-16-9-14(12)15(13)11(3)4;1-10(2)12-7-8-14-13(6-5-9-16-14)15(12)11(3)4;2*1-10(2)13-8-7-12-6-5-9-16-15(12)14(13)11(3)4;1-10(2)12-7-8-14-13(6-5-9-16-14)15(12)11(3)4;1-9(2)11-5-6-13-12(7-15-8-16-13)14(11)10(3)4;1-9(2)12-6-5-11-7-15-8-16-14(11)13(12)10(3)4;1-9(2)12-6-5-11-7-15-16-8-13(11)14(12)10(3)4;1-9(2)11-5-6-13-12(7-8-15-16-13)14(11)10(3)4;2*1-9(2)11-5-6-12-14(13(11)10(3)4)16-8-7-15-12;1-9(2)12-6-5-11-7-8-15-16-14(11)13(12)10(3)4;1-9(2)11-5-6-12-14(13(11)10(3)4)16-8-7-15-12;1-8(2)10-5-6-12-11(7-14-16-15-12)13(10)9(3)4;1-8(2)10-5-6-11-13(12(10)9(3)4)14-7-15-16-11;1-8(2)10-5-6-11-13(12(10)9(3)4)16-15-7-14-11;1-8(2)11-6-5-10-7-14-16-15-13(10)12(11)9(3)4/h9-12H,5-8H2,1-4H3;5-6,10-11,16H,7-9H2,1-4H3;2*7-8,10-11,16H,5-6,9H2,1-4H3;5-11H,1-4H3;7-8,10-11H,5-6,9H2,1-4H3;4*5-10H,1-4H3;5-6,9-10,15-16H,7-8H2,1-4H3;2*5-10H,1-4H3;5-6,9-10H,7-8H2,1-4H3;4*5-9H,1-4H3
InChIKeyJEQRDCZIYOQKMV-UHFFFAOYSA-N
XLogP69.54
TPSA410.09 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds36
Heavy Atoms288
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003885.83
LogP ≤ 569.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Analyze 5,6-di(propan-2-yl)-1,2,3-benzotriazine;5,6-di(propan-2-yl)-1,2,4-benzotriazine;7,8-di(propan-2-yl)-1,2,3-benzotriazine;7,8-di(propan-2-yl)-1,2,4-benzotriazine;5,6-di(propan-2-yl)cinnoline;7,8-di(propan-2-yl)cinnoline;5,6-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine;5,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;5,6-di(propan-2-yl)phthalazine;5,6-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinoline;5,6-di(propan-2-yl)quinoxaline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-3,4,6,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaen-5-amine
CID 9571822
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4,6,15-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),3,5,8,10,12,15,17-nonaen-5-amine
CID 9555336
1-Tert-butyl-4-propan-2-ylbenzene;1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;1,2-diphenyl-4-propan-2-ylbenzene;1,3-diphenyl-5-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;1-isocyano-4-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;propan-2-ylcyclohexane;1-propan-2-ylisoquinoline;3-propan-2-ylisoquinoline;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-ylquinoline;2-propan-2-yl-1,3,5-triazine;1-propan-2-yl-4-(trifluoromethyl)benzene;1,2,4,5-tetramethyl-3-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene;trimethyl-(4-propan-2-ylphenyl)silane
CID 158807419
5-[3-methoxy-4-[2-[4-[4-(quinolin-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]ethoxy]phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 22326801
5-[3-methoxy-4-[2-[4-[4-(quinolin-3-ylamino)pyrimidin-2-yl]piperazin-1-yl]ethoxy]phenyl]-2-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 22326828
6-(3,4-dihydro-2H-chromen-2-yl)-8-(3,4-dihydroquinolin-2-yl)-4-quinazolin-2-yl-7-quinolin-2-yl-5-quinoxalin-2-ylcinnoline
CID 53654478
5-[3-methoxy-4-[2-[1-[4-(quinolin-3-ylamino)pyrimidin-2-yl]piperidin-4-yl]ethoxy]phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 69738171
5-[3-methoxy-4-[2-[1-[4-(quinolin-3-ylamino)pyrimidin-2-yl]piperidin-4-yl]ethoxy]phenyl]-2-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 69849657
2-[3-Dibenzo-p-dioxin-2-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 132030511
N-[(3,4-dimethoxyphenyl)methyl]-4-(pyridin-4-ylmethyl)-7-[3-[[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]methyl]-3,4-dihydro-2H-chromen-7-yl]phthalazin-1-amine
CID 155312809
N-(3,4-dihydro-2H-chromen-4-yl)-4-(pyridin-4-ylmethyl)-7-[2-[[[4-(pyridin-4-ylmethyl)phthalazin-1-yl]amino]methyl]-3H-benzimidazol-5-yl]phthalazin-1-amine
CID 155312810
4H-1,3-benzodioxine;cinnoline;2,3-dihydro-1,4-benzodioxine;ethane;isoquinoline;1,8-naphthyridine;phthalazine;quinazoline;quinoline;quinoxaline;5,6,7,8-tetrahydroisoquinoline;5,6,7,8-tetrahydroquinoline
CID 157079146

Frequently Asked Questions

What is the IUPAC name of 5,6-di(propan-2-yl)-1,2,3-benzotriazine;5,6-di(propan-2-yl)-1,2,4-benzotriazine;7,8-di(propan-2-yl)-1,2,3-benzotriazine;7,8-di(propan-2-yl)-1,2,4-benzotriazine;5,6-di(propan-2-yl)cinnoline;7,8-di(propan-2-yl)cinnoline;5,6-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine;5,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;5,6-di(propan-2-yl)phthalazine;5,6-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinoline;5,6-di(propan-2-yl)quinoxaline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline?
The IUPAC name of 5,6-di(propan-2-yl)-1,2,3-benzotriazine;5,6-di(propan-2-yl)-1,2,4-benzotriazine;7,8-di(propan-2-yl)-1,2,3-benzotriazine;7,8-di(propan-2-yl)-1,2,4-benzotriazine;5,6-di(propan-2-yl)cinnoline;7,8-di(propan-2-yl)cinnoline;5,6-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine;5,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;5,6-di(propan-2-yl)phthalazine;5,6-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinoline;5,6-di(propan-2-yl)quinoxaline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline (CID 158894416) is 5,6-di(propan-2-yl)-1,2,3-benzotriazine;5,6-di(propan-2-yl)-1,2,4-benzotriazine;7,8-di(propan-2-yl)-1,2,3-benzotriazine;7,8-di(propan-2-yl)-1,2,4-benzotriazine;5,6-di(propan-2-yl)cinnoline;7,8-di(propan-2-yl)cinnoline;5,6-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine;5,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;5,6-di(propan-2-yl)phthalazine;5,6-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinoline;5,6-di(propan-2-yl)quinoxaline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline.
What is the SMILES notation for 5,6-di(propan-2-yl)-1,2,3-benzotriazine;5,6-di(propan-2-yl)-1,2,4-benzotriazine;7,8-di(propan-2-yl)-1,2,3-benzotriazine;7,8-di(propan-2-yl)-1,2,4-benzotriazine;5,6-di(propan-2-yl)cinnoline;7,8-di(propan-2-yl)cinnoline;5,6-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine;5,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;5,6-di(propan-2-yl)phthalazine;5,6-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinoline;5,6-di(propan-2-yl)quinoxaline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline?
The canonical SMILES for 5,6-di(propan-2-yl)-1,2,3-benzotriazine;5,6-di(propan-2-yl)-1,2,4-benzotriazine;7,8-di(propan-2-yl)-1,2,3-benzotriazine;7,8-di(propan-2-yl)-1,2,4-benzotriazine;5,6-di(propan-2-yl)cinnoline;7,8-di(propan-2-yl)cinnoline;5,6-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine;5,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;5,6-di(propan-2-yl)phthalazine;5,6-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinoline;5,6-di(propan-2-yl)quinoxaline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline is CC(C)c1ccc2c(c1C(C)C)CCCC2.CC(C)c1ccc2c(c1C(C)C)CCCN2.CC(C)c1ccc2c(c1C(C)C)CCCO2.CC(C)c1ccc2c(c1C(C)C)CNCC2.CC(C)c1ccc2c(c1C(C)C)NCCC2.CC(C)c1ccc2c(c1C(C)C)NCCN2.CC(C)c1ccc2c(c1C(C)C)OCCO2.CC(C)c1ccc2cccnc2c1C(C)C.CC(C)c1ccc2ccnnc2c1C(C)C.CC(C)c1ccc2cncnc2c1C(C)C.CC(C)c1ccc2cnncc2c1C(C)C.CC(C)c1ccc2cnnnc2c1C(C)C.CC(C)c1ccc2nccnc2c1C(C)C.CC(C)c1ccc2ncncc2c1C(C)C.CC(C)c1ccc2ncnnc2c1C(C)C.CC(C)c1ccc2nnccc2c1C(C)C.CC(C)c1ccc2nncnc2c1C(C)C.CC(C)c1ccc2nnncc2c1C(C)C.
What is the InChIKey of 5,6-di(propan-2-yl)-1,2,3-benzotriazine;5,6-di(propan-2-yl)-1,2,4-benzotriazine;7,8-di(propan-2-yl)-1,2,3-benzotriazine;7,8-di(propan-2-yl)-1,2,4-benzotriazine;5,6-di(propan-2-yl)cinnoline;7,8-di(propan-2-yl)cinnoline;5,6-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine;5,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;5,6-di(propan-2-yl)phthalazine;5,6-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinoline;5,6-di(propan-2-yl)quinoxaline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline?
The InChIKey is JEQRDCZIYOQKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24.3C15H23N.C15H19N.C15H22O.4C14H18N2.C14H22N2.2C14H18N2.C14H20O2.4C13H17N3/c1-11(2)14-10-9-13-7-5-6-8-15(13)16(14)12(3)4;1-10(2)13-6-5-12-7-8-16-9-14(12)15(13)11(3)4;1-10(2)12-7-8-14-13(6-5-9-16-14)15(12)11(3)4;2*1-10(2)13-8-7-12-6-5-9-16-15(12)14(13)11(3)4;1-10(2)12-7-8-14-13(6-5-9-16-14)15(12)11(3)4;1-9(2)11-5-6-13-12(7-15-8-16-13)14(11)10(3)4;1-9(2)12-6-5-11-7-15-8-16-14(11)13(12)10(3)4;1-9(2)12-6-5-11-7-15-16-8-13(11)14(12)10(3)4;1-9(2)11-5-6-13-12(7-8-15-16-13)14(11)10(3)4;2*1-9(2)11-5-6-12-14(13(11)10(3)4)16-8-7-15-12;1-9(2)12-6-5-11-7-8-15-16-14(11)13(12)10(3)4;1-9(2)11-5-6-12-14(13(11)10(3)4)16-8-7-15-12;1-8(2)10-5-6-12-11(7-14-16-15-12)13(10)9(3)4;1-8(2)10-5-6-11-13(12(10)9(3)4)14-7-15-16-11;1-8(2)10-5-6-11-13(12(10)9(3)4)16-15-7-14-11;1-8(2)11-6-5-10-7-14-16-15-13(10)12(11)9(3)4/h9-12H,5-8H2,1-4H3;5-6,10-11,16H,7-9H2,1-4H3;2*7-8,10-11,16H,5-6,9H2,1-4H3;5-11H,1-4H3;7-8,10-11H,5-6,9H2,1-4H3;4*5-10H,1-4H3;5-6,9-10,15-16H,7-8H2,1-4H3;2*5-10H,1-4H3;5-6,9-10H,7-8H2,1-4H3;4*5-9H,1-4H3.
What are the key properties of 5,6-di(propan-2-yl)-1,2,3-benzotriazine;5,6-di(propan-2-yl)-1,2,4-benzotriazine;7,8-di(propan-2-yl)-1,2,3-benzotriazine;7,8-di(propan-2-yl)-1,2,4-benzotriazine;5,6-di(propan-2-yl)cinnoline;7,8-di(propan-2-yl)cinnoline;5,6-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine;5,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;5,6-di(propan-2-yl)phthalazine;5,6-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinoline;5,6-di(propan-2-yl)quinoxaline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline?
5,6-di(propan-2-yl)-1,2,3-benzotriazine;5,6-di(propan-2-yl)-1,2,4-benzotriazine;7,8-di(propan-2-yl)-1,2,3-benzotriazine;7,8-di(propan-2-yl)-1,2,4-benzotriazine;5,6-di(propan-2-yl)cinnoline;7,8-di(propan-2-yl)cinnoline;5,6-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine;5,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;5,6-di(propan-2-yl)phthalazine;5,6-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinoline;5,6-di(propan-2-yl)quinoxaline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline has a molecular weight of 3885.83 g/mol, XLogP of 69.54, 36 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(propan-2-yl)-1,2,3-benzotriazine;5,6-di(propan-2-yl)-1,2,4-benzotriazine;7,8-di(propan-2-yl)-1,2,3-benzotriazine;7,8-di(propan-2-yl)-1,2,4-benzotriazine;5,6-di(propan-2-yl)cinnoline;7,8-di(propan-2-yl)cinnoline;5,6-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxine;5,6-di(propan-2-yl)-3,4-dihydro-2H-chromene;5,6-di(propan-2-yl)phthalazine;5,6-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinazoline;7,8-di(propan-2-yl)quinoline;5,6-di(propan-2-yl)quinoxaline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydronaphthalene;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;7,8-di(propan-2-yl)-1,2,3,4-tetrahydroquinoline;5,6-di(propan-2-yl)-1,2,3,4-tetrahydroquinoxaline is sourced from PubChem (CID 158894416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).