dilithium;1-bromo-4-tert-butylbenzene;tert-butylbenzene;N-[(4-tert-butylphenyl)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methanimine;2-methylpropane;oxolane

C94H123BrLi2N6O — CID 160653294

IUPACdilithium;1-bromo-4-tert-butylbenzene;tert-butylbenzene;N-[(4-tert-butylphenyl)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methanimine;2-methylpropane;oxolane
SMILESC1CCOC1.CC(C)(C)c1cc[c-]cc1.CC(C)(C)c1ccc(Br)cc1.CC1CCc2cccc(-c3cccc(/C=N/c4c(C(C)C)cccc4C(C)C)n3)c2N1.CC1CCc2cccc(-c3cccc(C(Nc4c(C(C)C)cccc4C(C)C)c4ccc(C(C)(C)C)cc4)n3)c2N1.C[C-](C)C.[Li+].[Li+]
InChIInChI=1S/C38H47N3.C28H33N3.C10H13Br.C10H13.C4H8O.C4H9.2Li/c1-24(2)30-13-10-14-31(25(3)4)37(30)41-36(28-20-22-29(23-21-28)38(6,7)8)34-17-11-16-33(40-34)32-15-9-12-27-19-18-26(5)39-35(27)32;1-18(2)23-11-8-12-24(19(3)4)28(23)29-17-22-10-7-14-26(31-22)25-13-6-9-21-16-15-20(5)30-27(21)25;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-7-5-4-6-8-9;1-2-4-5-3-1;1-4(2)3;;/h9-17,20-26,36,39,41H,18-19H2,1-8H3;6-14,17-20,30H,15-16H2,1-5H3;4-7H,1-3H3;5-8H,1-3H3;1-4H2;1-3H3;;/q;;;-1;;-1;2*+1/b;29-17+;;;;;;
InChIKeySDRWFABPABEXQY-RORPGDSVSA-N
MW1446.84 g/mol
LogP20.69
Rot. Bonds12

About dilithium;1-bromo-4-tert-butylbenzene;tert-butylbenzene;N-[(4-tert-butylphenyl)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methanimine;2-methylpropane;oxolane

dilithium;1-bromo-4-tert-butylbenzene;tert-butylbenzene;N-[(4-tert-butylphenyl)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methanimine;2-methylpropane;oxolane (PubChem CID 160653294) has the molecular formula C94H123BrLi2N6O and a molecular weight of 1446.84 g/mol. Its IUPAC name is dilithium;1-bromo-4-tert-butylbenzene;tert-butylbenzene;N-[(4-tert-butylphenyl)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methanimine;2-methylpropane;oxolane.

Molecular Properties

Compound Namedilithium;1-bromo-4-tert-butylbenzene;tert-butylbenzene;N-[(4-tert-butylphenyl)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methanimine;2-methylpropane;oxolane
PubChem CID160653294
Molecular FormulaC94H123BrLi2N6O
Molecular Weight1446.84 g/mol
Exact Mass1444.93
IUPAC Namedilithium;1-bromo-4-tert-butylbenzene;tert-butylbenzene;N-[(4-tert-butylphenyl)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methanimine;2-methylpropane;oxolane
SMILESC1CCOC1.CC(C)(C)c1cc[c-]cc1.CC(C)(C)c1ccc(Br)cc1.CC1CCc2cccc(-c3cccc(/C=N/c4c(C(C)C)cccc4C(C)C)n3)c2N1.CC1CCc2cccc(-c3cccc(C(Nc4c(C(C)C)cccc4C(C)C)c4ccc(C(C)(C)C)cc4)n3)c2N1.C[C-](C)C.[Li+].[Li+]
InChIInChI=1S/C38H47N3.C28H33N3.C10H13Br.C10H13.C4H8O.C4H9.2Li/c1-24(2)30-13-10-14-31(25(3)4)37(30)41-36(28-20-22-29(23-21-28)38(6,7)8)34-17-11-16-33(40-34)32-15-9-12-27-19-18-26(5)39-35(27)32;1-18(2)23-11-8-12-24(19(3)4)28(23)29-17-22-10-7-14-26(31-22)25-13-6-9-21-16-15-20(5)30-27(21)25;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-7-5-4-6-8-9;1-2-4-5-3-1;1-4(2)3;;/h9-17,20-26,36,39,41H,18-19H2,1-8H3;6-14,17-20,30H,15-16H2,1-5H3;4-7H,1-3H3;5-8H,1-3H3;1-4H2;1-3H3;;/q;;;-1;;-1;2*+1/b;29-17+;;;;;;
InChIKeySDRWFABPABEXQY-RORPGDSVSA-N
XLogP20.69
TPSA83.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001446.84
LogP ≤ 520.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze dilithium;1-bromo-4-tert-butylbenzene;tert-butylbenzene;N-[(4-tert-butylphenyl)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methanimine;2-methylpropane;oxolane with MolForge

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Related Compounds

N-[(S)-(4-tert-butylphenyl)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline
CID 157467887
lithium;benzene;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]methanimine;N-[[6-(2-methyl-2,3-dihydro-1H-indol-7-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 159677461
N-[(S)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline
CID 161153078
N-[(R)-[6-[(2S)-2-methyl-1,2,3,4-tetrahydroquinolin-8-yl]-2-pyridinyl]-(2-phenylphenyl)methyl]-2,6-di(propan-2-yl)aniline
CID 158937448
N-[2,6-di(propan-2-yl)phenyl]-1-[6-[(2R)-2-methyl-2,3-dihydro-1H-indol-7-yl]-2-pyridinyl]methanimine
CID 159677459
2-methyl-N-[(S)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-phenylmethyl]propan-2-amine;2-methyl-N-[(S)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]propan-2-amine;N-[[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-naphthalen-1-ylmethyl]-2,6-di(propan-2-yl)aniline;N-[(S)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-(2-phenylphenyl)methyl]-2,6-di(propan-2-yl)aniline;N-[(S)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline
CID 161443365
N-[(S)-[6-[(2R)-2-methyl-2,3-dihydro-1H-indol-7-yl]-2-pyridinyl]-(2-propan-2-ylphenyl)methyl]-2,6-di(propan-2-yl)aniline
CID 159040776
carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(2-methyl-3,4-dihydro-2H-quinolin-1-id-8-yl)-2-pyridinyl]-phenylmethyl]azanide;hafnium;N-[[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 162281036
N-[[6-(2-methylphenyl)-2-pyridinyl]-phenylmethyl]-2,6-di(propan-2-yl)aniline
CID 20637527
N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine
CID 12070562
(2S)-2-methyl-8-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroquinoline
CID 175045275
2-[6-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-2-pyridinyl]-6-phenylphenol
CID 136726129

Frequently Asked Questions

What is the IUPAC name of dilithium;1-bromo-4-tert-butylbenzene;tert-butylbenzene;N-[(4-tert-butylphenyl)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methanimine;2-methylpropane;oxolane?
The IUPAC name of dilithium;1-bromo-4-tert-butylbenzene;tert-butylbenzene;N-[(4-tert-butylphenyl)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methanimine;2-methylpropane;oxolane (CID 160653294) is dilithium;1-bromo-4-tert-butylbenzene;tert-butylbenzene;N-[(4-tert-butylphenyl)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methanimine;2-methylpropane;oxolane.
What is the SMILES notation for dilithium;1-bromo-4-tert-butylbenzene;tert-butylbenzene;N-[(4-tert-butylphenyl)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methanimine;2-methylpropane;oxolane?
The canonical SMILES for dilithium;1-bromo-4-tert-butylbenzene;tert-butylbenzene;N-[(4-tert-butylphenyl)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methanimine;2-methylpropane;oxolane is C1CCOC1.CC(C)(C)c1cc[c-]cc1.CC(C)(C)c1ccc(Br)cc1.CC1CCc2cccc(-c3cccc(/C=N/c4c(C(C)C)cccc4C(C)C)n3)c2N1.CC1CCc2cccc(-c3cccc(C(Nc4c(C(C)C)cccc4C(C)C)c4ccc(C(C)(C)C)cc4)n3)c2N1.C[C-](C)C.[Li+].[Li+].
What is the InChIKey of dilithium;1-bromo-4-tert-butylbenzene;tert-butylbenzene;N-[(4-tert-butylphenyl)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methanimine;2-methylpropane;oxolane?
The InChIKey is SDRWFABPABEXQY-RORPGDSVSA-N. The full InChI is InChI=1S/C38H47N3.C28H33N3.C10H13Br.C10H13.C4H8O.C4H9.2Li/c1-24(2)30-13-10-14-31(25(3)4)37(30)41-36(28-20-22-29(23-21-28)38(6,7)8)34-17-11-16-33(40-34)32-15-9-12-27-19-18-26(5)39-35(27)32;1-18(2)23-11-8-12-24(19(3)4)28(23)29-17-22-10-7-14-26(31-22)25-13-6-9-21-16-15-20(5)30-27(21)25;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)9-7-5-4-6-8-9;1-2-4-5-3-1;1-4(2)3;;/h9-17,20-26,36,39,41H,18-19H2,1-8H3;6-14,17-20,30H,15-16H2,1-5H3;4-7H,1-3H3;5-8H,1-3H3;1-4H2;1-3H3;;/q;;;-1;;-1;2*+1/b;29-17+;;;;;;.
What are the key properties of dilithium;1-bromo-4-tert-butylbenzene;tert-butylbenzene;N-[(4-tert-butylphenyl)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methanimine;2-methylpropane;oxolane?
dilithium;1-bromo-4-tert-butylbenzene;tert-butylbenzene;N-[(4-tert-butylphenyl)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methanimine;2-methylpropane;oxolane has a molecular weight of 1446.84 g/mol, XLogP of 20.69, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;1-bromo-4-tert-butylbenzene;tert-butylbenzene;N-[(4-tert-butylphenyl)-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methyl]-2,6-di(propan-2-yl)aniline;N-[2,6-di(propan-2-yl)phenyl]-1-[6-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-pyridinyl]methanimine;2-methylpropane;oxolane is sourced from PubChem (CID 160653294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).