7-tert-butyl-10-[3-[3-[(4R)-4-(2,4-dimethylpentan-3-yl)-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-phenylphenoxy]-5-methylphenyl]-5,5-dimethylbenzo[b][1,8]naphthyridine

C58H68N4O — CID 170932799

IUPAC7-tert-butyl-10-[3-[3-[(4R)-4-(2,4-dimethylpentan-3-yl)-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-phenylphenoxy]-5-methylphenyl]-5,5-dimethylbenzo[b][1,8]naphthyridine
SMILESCc1cc(Oc2cc(C3=N[C@](C)(C(C(C)C)C(C)C)C(C)(C)N3c3c(C)cccc3C)cc(-c3ccccc3)c2)cc(N2c3ccc(C(C)(C)C)cc3C(C)(C)c3cccnc32)c1
InChIInChI=1S/C58H68N4O/c1-36(2)51(37(3)4)58(15)57(13,14)62(52-39(6)21-19-22-40(52)7)53(60-58)43-31-42(41-23-17-16-18-24-41)32-47(33-43)63-46-30-38(5)29-45(35-46)61-50-27-26-44(55(8,9)10)34-49(50)56(11,12)48-25-20-28-59-54(48)61/h16-37,51H,1-15H3/t58-/m1/s1
InChIKeyCVNWWAJAWFYMNV-QPUWJJAWSA-N
MW837.21 g/mol
LogP15.61
Rot. Bonds9

About 7-tert-butyl-10-[3-[3-[(4R)-4-(2,4-dimethylpentan-3-yl)-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-phenylphenoxy]-5-methylphenyl]-5,5-dimethylbenzo[b][1,8]naphthyridine

7-tert-butyl-10-[3-[3-[(4R)-4-(2,4-dimethylpentan-3-yl)-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-phenylphenoxy]-5-methylphenyl]-5,5-dimethylbenzo[b][1,8]naphthyridine (PubChem CID 170932799) has the molecular formula C58H68N4O and a molecular weight of 837.21 g/mol. Its IUPAC name is 7-tert-butyl-10-[3-[3-[(4R)-4-(2,4-dimethylpentan-3-yl)-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-phenylphenoxy]-5-methylphenyl]-5,5-dimethylbenzo[b][1,8]naphthyridine.

Molecular Properties

Compound Name7-tert-butyl-10-[3-[3-[(4R)-4-(2,4-dimethylpentan-3-yl)-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-phenylphenoxy]-5-methylphenyl]-5,5-dimethylbenzo[b][1,8]naphthyridine
PubChem CID170932799
Molecular FormulaC58H68N4O
Molecular Weight837.21 g/mol
Exact Mass836.54
IUPAC Name7-tert-butyl-10-[3-[3-[(4R)-4-(2,4-dimethylpentan-3-yl)-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-phenylphenoxy]-5-methylphenyl]-5,5-dimethylbenzo[b][1,8]naphthyridine
SMILESCc1cc(Oc2cc(C3=N[C@](C)(C(C(C)C)C(C)C)C(C)(C)N3c3c(C)cccc3C)cc(-c3ccccc3)c2)cc(N2c3ccc(C(C)(C)C)cc3C(C)(C)c3cccnc32)c1
InChIInChI=1S/C58H68N4O/c1-36(2)51(37(3)4)58(15)57(13,14)62(52-39(6)21-19-22-40(52)7)53(60-58)43-31-42(41-23-17-16-18-24-41)32-47(33-43)63-46-30-38(5)29-45(35-46)61-50-27-26-44(55(8,9)10)34-49(50)56(11,12)48-25-20-28-59-54(48)61/h16-37,51H,1-15H3/t58-/m1/s1
InChIKeyCVNWWAJAWFYMNV-QPUWJJAWSA-N
XLogP15.61
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.21
LogP ≤ 515.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-tert-butyl-10-[3-[3-[(4R)-4-(2,4-dimethylpentan-3-yl)-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-phenylphenoxy]-5-methylphenyl]-5,5-dimethylbenzo[b][1,8]naphthyridine 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

(3aS,8bR)-2-[3-[3-(7-tert-butyl-5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylphenoxy]-5-[2,6-di(propan-2-yl)phenyl]phenyl]-3a,5,6,8b-tetramethyl-4H-indeno[1,2-d][1,3]oxazole
CID 170935099
(4R,5R)-2-[3-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylphenoxy]-5-methylphenyl]-4,5-dimethyl-5-phenyl-4-propan-2-yl-1,3-oxazole
CID 170935378
(3aS,9aS)-7-tert-butyl-2-[3-tert-butyl-5-[3-(7-tert-butyl-5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylphenoxy]phenyl]-4,4-dideuterio-6,8,9a-trimethyl-3a,9-dihydrobenzo[f][1,3]benzoxazole
CID 170934872
N-[1-[3-tert-butyl-5-[3-[(4R)-4-(2,4-dimethylpentan-3-yl)-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-pyridin-2-ylphenoxy]phenyl]-3,5-dimethylindol-2-yl]methanimine
CID 170932734
(4R)-2-[3-[3-(7-tert-butyl-3,5,5-trimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylphenoxy]-5-(2,4,6-trimethylphenyl)phenyl]-4-methyl-4-propan-2-yl-5H-1,3-oxazole
CID 170935877
(4R)-2-[5-[3-(7-tert-butyl-5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylphenoxy]-2,4-dimethylphenyl]-4-cyclopentyl-4,5-dihydro-1,3-oxazole
CID 170932697
17-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylphenoxy]-13,13,16-trimethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
CID 170932888
(3aS,9aS)-2-[3-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylphenoxy]-5-methylphenyl]-3a,6,7-trimethyl-9,9a-dihydro-4H-benzo[f][1,3]benzoxazole
CID 170933694
10-[3-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)phenoxy]phenyl]-5,5-dimethylbenzo[b][1,8]naphthyridine
CID 118553245
(3aS,11bR)-6,9-ditert-butyl-2-[3-tert-butyl-5-[3-(7-tert-butyl-5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxybenzene-6-id-1-yl]-3-[2,6-di(propan-2-yl)phenyl]-3a,11b-dimethylphenanthro[9,10-d]imidazole;platinum(2+)
CID 170934079
(4R)-2-[3-[3-(5,5-dimethylbenzo[b][1,8]naphthyridin-10-yl)-5-methylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-(2,4-dimethylpentan-3-yl)-4,5-dihydro-1,3-oxazole;platinum(2+)
CID 170932360
10-[3-[3-[(3aS,8bR)-3a,5,6,8b-tetramethyl-3-(2,3,5,6-tetramethylphenyl)-4H-indeno[1,2-d]imidazol-2-yl]-5-propan-2-ylbenzene-2-id-1-yl]oxy-5-methylbenzene-2-id-1-yl]-7-tert-butyl-5,5-dimethylbenzo[b][1,8]naphthyridine;platinum(2+)
CID 170932368

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-10-[3-[3-[(4R)-4-(2,4-dimethylpentan-3-yl)-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-phenylphenoxy]-5-methylphenyl]-5,5-dimethylbenzo[b][1,8]naphthyridine?
The IUPAC name of 7-tert-butyl-10-[3-[3-[(4R)-4-(2,4-dimethylpentan-3-yl)-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-phenylphenoxy]-5-methylphenyl]-5,5-dimethylbenzo[b][1,8]naphthyridine (CID 170932799) is 7-tert-butyl-10-[3-[3-[(4R)-4-(2,4-dimethylpentan-3-yl)-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-phenylphenoxy]-5-methylphenyl]-5,5-dimethylbenzo[b][1,8]naphthyridine.
What is the SMILES notation for 7-tert-butyl-10-[3-[3-[(4R)-4-(2,4-dimethylpentan-3-yl)-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-phenylphenoxy]-5-methylphenyl]-5,5-dimethylbenzo[b][1,8]naphthyridine?
The canonical SMILES for 7-tert-butyl-10-[3-[3-[(4R)-4-(2,4-dimethylpentan-3-yl)-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-phenylphenoxy]-5-methylphenyl]-5,5-dimethylbenzo[b][1,8]naphthyridine is Cc1cc(Oc2cc(C3=N[C@](C)(C(C(C)C)C(C)C)C(C)(C)N3c3c(C)cccc3C)cc(-c3ccccc3)c2)cc(N2c3ccc(C(C)(C)C)cc3C(C)(C)c3cccnc32)c1.
What is the InChIKey of 7-tert-butyl-10-[3-[3-[(4R)-4-(2,4-dimethylpentan-3-yl)-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-phenylphenoxy]-5-methylphenyl]-5,5-dimethylbenzo[b][1,8]naphthyridine?
The InChIKey is CVNWWAJAWFYMNV-QPUWJJAWSA-N. The full InChI is InChI=1S/C58H68N4O/c1-36(2)51(37(3)4)58(15)57(13,14)62(52-39(6)21-19-22-40(52)7)53(60-58)43-31-42(41-23-17-16-18-24-41)32-47(33-43)63-46-30-38(5)29-45(35-46)61-50-27-26-44(55(8,9)10)34-49(50)56(11,12)48-25-20-28-59-54(48)61/h16-37,51H,1-15H3/t58-/m1/s1.
What are the key properties of 7-tert-butyl-10-[3-[3-[(4R)-4-(2,4-dimethylpentan-3-yl)-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-phenylphenoxy]-5-methylphenyl]-5,5-dimethylbenzo[b][1,8]naphthyridine?
7-tert-butyl-10-[3-[3-[(4R)-4-(2,4-dimethylpentan-3-yl)-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-phenylphenoxy]-5-methylphenyl]-5,5-dimethylbenzo[b][1,8]naphthyridine has a molecular weight of 837.21 g/mol, XLogP of 15.61, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-10-[3-[3-[(4R)-4-(2,4-dimethylpentan-3-yl)-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-phenylphenoxy]-5-methylphenyl]-5,5-dimethylbenzo[b][1,8]naphthyridine is sourced from PubChem (CID 170932799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).