ethane;2,3,7,7,8,8-hexamethyl-9-phenyl-9,10-dihydroimidazo[1,2-h][1,7]naphthyridine

C28H45N3 — CID 90960718

IUPACethane;2,3,7,7,8,8-hexamethyl-9-phenyl-9,10-dihydroimidazo[1,2-h][1,7]naphthyridine
SMILESCC.CC.CC.Cc1nc2c3c(ccn2c1C)C(C)(C)C(C)(C)C(c1ccccc1)N3
InChIInChI=1S/C22H27N3.3C2H6/c1-14-15(2)25-13-12-17-18(20(25)23-14)24-19(16-10-8-7-9-11-16)22(5,6)21(17,3)4;3*1-2/h7-13,19,24H,1-6H3;3*1-2H3
InChIKeyXJUFTIKHWPOXFG-UHFFFAOYSA-N
MW423.69 g/mol
LogP8.50
Rot. Bonds1

About ethane;2,3,7,7,8,8-hexamethyl-9-phenyl-9,10-dihydroimidazo[1,2-h][1,7]naphthyridine

ethane;2,3,7,7,8,8-hexamethyl-9-phenyl-9,10-dihydroimidazo[1,2-h][1,7]naphthyridine (PubChem CID 90960718) has the molecular formula C28H45N3 and a molecular weight of 423.69 g/mol. Its IUPAC name is ethane;2,3,7,7,8,8-hexamethyl-9-phenyl-9,10-dihydroimidazo[1,2-h][1,7]naphthyridine.

Molecular Properties

Compound Nameethane;2,3,7,7,8,8-hexamethyl-9-phenyl-9,10-dihydroimidazo[1,2-h][1,7]naphthyridine
PubChem CID90960718
Molecular FormulaC28H45N3
Molecular Weight423.69 g/mol
Exact Mass423.36
IUPAC Nameethane;2,3,7,7,8,8-hexamethyl-9-phenyl-9,10-dihydroimidazo[1,2-h][1,7]naphthyridine
SMILESCC.CC.CC.Cc1nc2c3c(ccn2c1C)C(C)(C)C(C)(C)C(c1ccccc1)N3
InChIInChI=1S/C22H27N3.3C2H6/c1-14-15(2)25-13-12-17-18(20(25)23-14)24-19(16-10-8-7-9-11-16)22(5,6)21(17,3)4;3*1-2/h7-13,19,24H,1-6H3;3*1-2H3
InChIKeyXJUFTIKHWPOXFG-UHFFFAOYSA-N
XLogP8.50
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.69
LogP ≤ 58.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(8R,9R)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridine-7,8-diol
CID 58731364
(7S,8R,9R)-7-methoxy-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol
CID 10215154
(7S,8R,9R)-7-ethylsulfanyl-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol
CID 10150129
(7R,8R,9R)-2,3-dimethyl-9-phenyl-7-(trifluoromethoxy)-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol
CID 139935408
[(7R,8R,9R)-7-methoxy-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-yl] methyl carbonate
CID 10193995
(7S,8R,9R)-7-[2-(2-methoxyethoxy)ethoxy]-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol
CID 10194462
(7S,8R,9R)-2,3-dimethyl-7-(2-methylsulfanylethoxy)-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-ol
CID 10237405
(12R)-10-ethenyl-10-methoxy-4,5-dimethyl-12-phenyl-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-11-ol
CID 24984632
(12R)-4,5,10-trimethyl-12-phenyl-10-(2,2,2-trifluoroethoxy)-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-11-ol
CID 24984321
[(7R,8R,9R)-7-(2-methoxyethoxy)-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-yl] 2-(2-hydroxyethoxy)acetate
CID 91364015
[(7S,8R,9R)-7-methoxy-2,3-dimethyl-9-phenyl-7,8,9,10-tetrahydroimidazo[1,2-h][1,7]naphthyridin-8-yl] N,N-diethylcarbamate
CID 10224068
(10S,11R,12R)-10-cyclopropyl-4,5-dimethyl-12-phenyl-10-(2,2,2-trifluoroethoxy)-13-oxa-3,6-diazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-11-ol
CID 24986146

Frequently Asked Questions

What is the IUPAC name of ethane;2,3,7,7,8,8-hexamethyl-9-phenyl-9,10-dihydroimidazo[1,2-h][1,7]naphthyridine?
The IUPAC name of ethane;2,3,7,7,8,8-hexamethyl-9-phenyl-9,10-dihydroimidazo[1,2-h][1,7]naphthyridine (CID 90960718) is ethane;2,3,7,7,8,8-hexamethyl-9-phenyl-9,10-dihydroimidazo[1,2-h][1,7]naphthyridine.
What is the SMILES notation for ethane;2,3,7,7,8,8-hexamethyl-9-phenyl-9,10-dihydroimidazo[1,2-h][1,7]naphthyridine?
The canonical SMILES for ethane;2,3,7,7,8,8-hexamethyl-9-phenyl-9,10-dihydroimidazo[1,2-h][1,7]naphthyridine is CC.CC.CC.Cc1nc2c3c(ccn2c1C)C(C)(C)C(C)(C)C(c1ccccc1)N3.
What is the InChIKey of ethane;2,3,7,7,8,8-hexamethyl-9-phenyl-9,10-dihydroimidazo[1,2-h][1,7]naphthyridine?
The InChIKey is XJUFTIKHWPOXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3.3C2H6/c1-14-15(2)25-13-12-17-18(20(25)23-14)24-19(16-10-8-7-9-11-16)22(5,6)21(17,3)4;3*1-2/h7-13,19,24H,1-6H3;3*1-2H3.
What are the key properties of ethane;2,3,7,7,8,8-hexamethyl-9-phenyl-9,10-dihydroimidazo[1,2-h][1,7]naphthyridine?
ethane;2,3,7,7,8,8-hexamethyl-9-phenyl-9,10-dihydroimidazo[1,2-h][1,7]naphthyridine has a molecular weight of 423.69 g/mol, XLogP of 8.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,3,7,7,8,8-hexamethyl-9-phenyl-9,10-dihydroimidazo[1,2-h][1,7]naphthyridine is sourced from PubChem (CID 90960718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).