7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;6-tert-butyl-1-oxidoquinolin-1-ium;4-tert-butylquinoline;cinnoline;undecakis(2,2-dimethylpropane);ethane;isoquinoline;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinazoline;quinoline;quinoxaline

C224H314N24O2 — CID 158562088

IUPAC7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;6-tert-butyl-1-oxidoquinolin-1-ium;4-tert-butylquinoline;cinnoline;undecakis(2,2-dimethylpropane);ethane;isoquinoline;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinazoline;quinoline;quinoxaline
SMILESCC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc2c(ccc[n+]2[O-])c1.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccnc2ccncc12.CC(C)(C)c1ccnc2cnccc12.COc1cccc2ccc(C(C)(C)C)cc12.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2ncccc2c1
InChIInChI=1S/C15H18O.C13H15NO.C13H15N.2C12H14N2.4C9H7N.7C8H6N2.11C5H12.6C2H6/c1-15(2,3)12-9-8-11-6-5-7-14(16-4)13(11)10-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14(12)15;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)10-4-7-14-11-5-6-13-8-9(10)11;1-12(2,3)10-5-7-14-11-8-13-6-4-9(10)11;2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;2*1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;11*1-5(2,3)4;6*1-2/h5-10H,1-4H3;4-9H,1-3H3;4-9H,1-3H3;2*4-8H,1-3H3;4*1-7H;7*1-6H;11*1-4H3;6*1-2H3
InChIKeyHQZWVMVWXKSVKR-UHFFFAOYSA-N
MW3375.14 g/mol
LogP65.38
Rot. Bonds1

About 7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;6-tert-butyl-1-oxidoquinolin-1-ium;4-tert-butylquinoline;cinnoline;undecakis(2,2-dimethylpropane);ethane;isoquinoline;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinazoline;quinoline;quinoxaline

7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;6-tert-butyl-1-oxidoquinolin-1-ium;4-tert-butylquinoline;cinnoline;undecakis(2,2-dimethylpropane);ethane;isoquinoline;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinazoline;quinoline;quinoxaline (PubChem CID 158562088) has the molecular formula C224H314N24O2 and a molecular weight of 3375.14 g/mol. Its IUPAC name is 7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;6-tert-butyl-1-oxidoquinolin-1-ium;4-tert-butylquinoline;cinnoline;undecakis(2,2-dimethylpropane);ethane;isoquinoline;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinazoline;quinoline;quinoxaline.

Molecular Properties

Compound Name7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;6-tert-butyl-1-oxidoquinolin-1-ium;4-tert-butylquinoline;cinnoline;undecakis(2,2-dimethylpropane);ethane;isoquinoline;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinazoline;quinoline;quinoxaline
PubChem CID158562088
Molecular FormulaC224H314N24O2
Molecular Weight3375.14 g/mol
Exact Mass3372.52
IUPAC Name7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;6-tert-butyl-1-oxidoquinolin-1-ium;4-tert-butylquinoline;cinnoline;undecakis(2,2-dimethylpropane);ethane;isoquinoline;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinazoline;quinoline;quinoxaline
SMILESCC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc2c(ccc[n+]2[O-])c1.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccnc2ccncc12.CC(C)(C)c1ccnc2cnccc12.COc1cccc2ccc(C(C)(C)C)cc12.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2ncccc2c1
InChIInChI=1S/C15H18O.C13H15NO.C13H15N.2C12H14N2.4C9H7N.7C8H6N2.11C5H12.6C2H6/c1-15(2,3)12-9-8-11-6-5-7-14(16-4)13(11)10-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14(12)15;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)10-4-7-14-11-5-6-13-8-9(10)11;1-12(2,3)10-5-7-14-11-8-13-6-4-9(10)11;2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;2*1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;11*1-5(2,3)4;6*1-2/h5-10H,1-4H3;4-9H,1-3H3;4-9H,1-3H3;2*4-8H,1-3H3;4*1-7H;7*1-6H;11*1-4H3;6*1-2H3
InChIKeyHQZWVMVWXKSVKR-UHFFFAOYSA-N
XLogP65.38
TPSA332.64 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds1
Heavy Atoms250
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003375.14
LogP ≤ 565.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;6-tert-butyl-1-oxidoquinolin-1-ium;4-tert-butylquinoline;cinnoline;undecakis(2,2-dimethylpropane);ethane;isoquinoline;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinazoline;quinoline;quinoxaline with MolForge

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Related Compounds

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CID 158807419
7-ethyl-3-propan-2-ylpyrido[3,4-b]pyrazine;7-methoxy-3-propan-2-ylpyrido[3,4-b]pyrazine;3-(3-methylbutyl)pyrazino[2,3-c]pyridazine;7-methyl-2-(2-methylpropyl)pyrimido[4,5-d]pyrimidine;6-methyl-3-propan-2-ylpyrido[2,3-c]pyridazine;7-methyl-2-propan-2-ylpyrimido[4,5-d]pyrimidine;3-propan-2-ylcinnoline;2-propan-2-yl-3,4-dihydro-1H-isoquinoline;3-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,6-naphthyridine;3-propan-2-ylpyrazino[2,3-c]pyridazine;2-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylpyrido[3,2-d]pyrimidine;2-propan-2-ylpyrimido[4,5-d]pyrimidine;bis(2-propan-2-ylquinoxaline);6-propan-2-ylquinoxaline;3-propan-2-yl-5,6,7,8-tetrahydro-1,2,4-benzotriazine;3-propan-2-yl-5,6,7,8-tetrahydroquinoline;3-propan-2-yl-6-(trifluoromethyl)quinoline
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2-(4-Tert-butyl-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;2-(4-methoxy-1-methylnaphthalen-2-yl)-3-methylbenzo[g]quinazolin-3-ium;3-methyl-2-(2-methylnaphthalen-1-yl)benzo[g]quinazolin-3-ium;3-methyl-7-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)benzo[g]quinazolin-3-ium
CID 162205197
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CID 44207214
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-(2H-chromen-2-yl)-2-cinnolin-3-yl-4-(3,4-dihydro-2H-chromen-2-yl)-6-isoquinolin-1-yl-7-quinolin-2-ylquinazoline
CID 141123039
2-[4-[6'-[4-[4-(4-Spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)quinazolin-2-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]-1,10-phenanthroline
CID 146343168
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
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2,3-ditert-butyl-4H-chromene;3,4-ditert-butyl-2H-chromene;bis(3,4-ditert-butylcinnoline);4,5-ditert-butyl-2,3-dihydro-1H-indazole;bis(2,3-ditert-butylpyrido[2,3-b]pyrazine);6,7-ditert-butylpyrido[2,3-b]pyrazine;3,4-ditert-butylpyrido[3,2-c]pyridazine;bis(5,6-ditert-butylpyrido[2,3-c]pyridazine);5,6-ditert-butylpyrido[3,4-c]pyridazine;6,7-ditert-butylpyrido[3,2-c]pyridazine;7,8-ditert-butylpyrido[4,3-c]pyridazine;6,7-ditert-butylpyrido[3,2-d]pyrimidine;7,8-ditert-butylpyrido[3,2-d]pyrimidine;7,8-ditert-butylpyrido[4,3-d]pyrimidine;2,3-ditert-butylquinoxaline
CID 157085353
2-(3,5-Diphenylphenyl)-4-phenyl-6-spiro[benzo[c]xanthene-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-spiro[benzo[c]xanthene-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[benzo[c]xanthene-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-1,3,5-triazine;4-phenyl-6-pyridin-3-yl-2-spiro[benzo[c]xanthene-7,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine
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7-Tert-butyl-1-methoxynaphthalene;6-tert-butyl-1-oxidoquinolin-1-ium;4-tert-butylquinoline;tridecakis(2,2-dimethylpropane);ethane;isoquinoline;1,5-naphthyridine;bis(1,6-naphthyridine);1,7-naphthyridine;1,8-naphthyridine;quinazoline;quinoline;quinoxaline
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9-[3-[4-(4-Isocyanophenyl)phenyl]phenyl]-9-phenylxanthene;3-phenyl-6-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]pyridazine;2-phenyl-4-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinazoline;8-[4-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]quinoline
CID 157283670

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;6-tert-butyl-1-oxidoquinolin-1-ium;4-tert-butylquinoline;cinnoline;undecakis(2,2-dimethylpropane);ethane;isoquinoline;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinazoline;quinoline;quinoxaline?
The IUPAC name of 7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;6-tert-butyl-1-oxidoquinolin-1-ium;4-tert-butylquinoline;cinnoline;undecakis(2,2-dimethylpropane);ethane;isoquinoline;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinazoline;quinoline;quinoxaline (CID 158562088) is 7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;6-tert-butyl-1-oxidoquinolin-1-ium;4-tert-butylquinoline;cinnoline;undecakis(2,2-dimethylpropane);ethane;isoquinoline;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinazoline;quinoline;quinoxaline.
What is the SMILES notation for 7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;6-tert-butyl-1-oxidoquinolin-1-ium;4-tert-butylquinoline;cinnoline;undecakis(2,2-dimethylpropane);ethane;isoquinoline;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinazoline;quinoline;quinoxaline?
The canonical SMILES for 7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;6-tert-butyl-1-oxidoquinolin-1-ium;4-tert-butylquinoline;cinnoline;undecakis(2,2-dimethylpropane);ethane;isoquinoline;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinazoline;quinoline;quinoxaline is CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1ccc2c(ccc[n+]2[O-])c1.CC(C)(C)c1ccnc2ccccc12.CC(C)(C)c1ccnc2ccncc12.CC(C)(C)c1ccnc2cnccc12.COc1cccc2ccc(C(C)(C)C)cc12.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2nccnc2c1.c1ccc2ncncc2c1.c1ccc2nnccc2c1.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2ncccc2c1.
What is the InChIKey of 7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;6-tert-butyl-1-oxidoquinolin-1-ium;4-tert-butylquinoline;cinnoline;undecakis(2,2-dimethylpropane);ethane;isoquinoline;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinazoline;quinoline;quinoxaline?
The InChIKey is HQZWVMVWXKSVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O.C13H15NO.C13H15N.2C12H14N2.4C9H7N.7C8H6N2.11C5H12.6C2H6/c1-15(2,3)12-9-8-11-6-5-7-14(16-4)13(11)10-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14(12)15;1-13(2,3)11-8-9-14-12-7-5-4-6-10(11)12;1-12(2,3)10-4-7-14-11-5-6-13-8-9(10)11;1-12(2,3)10-5-7-14-11-8-13-6-4-9(10)11;2*1-2-6-9-8(4-1)5-3-7-10-9;2*1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)5-9-6-10-8;2*1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-10-8;11*1-5(2,3)4;6*1-2/h5-10H,1-4H3;4-9H,1-3H3;4-9H,1-3H3;2*4-8H,1-3H3;4*1-7H;7*1-6H;11*1-4H3;6*1-2H3.
What are the key properties of 7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;6-tert-butyl-1-oxidoquinolin-1-ium;4-tert-butylquinoline;cinnoline;undecakis(2,2-dimethylpropane);ethane;isoquinoline;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinazoline;quinoline;quinoxaline?
7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;6-tert-butyl-1-oxidoquinolin-1-ium;4-tert-butylquinoline;cinnoline;undecakis(2,2-dimethylpropane);ethane;isoquinoline;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinazoline;quinoline;quinoxaline has a molecular weight of 3375.14 g/mol, XLogP of 65.38, 1 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-1-methoxynaphthalene;4-tert-butyl-1,6-naphthyridine;4-tert-butyl-1,7-naphthyridine;6-tert-butyl-1-oxidoquinolin-1-ium;4-tert-butylquinoline;cinnoline;undecakis(2,2-dimethylpropane);ethane;isoquinoline;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinazoline;quinoline;quinoxaline is sourced from PubChem (CID 158562088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).