aniline;benzene;butane;ethylbenzene;5-ethyl-1H-imidazole;3-ethyl-1H-indole;bis(1-ethyl-4-methylbenzene);1-ethylnaphthalene;5-ethylpyridin-2-amine;5-ethylquinoline;bis(2-methylbutane);2-methylpropane;naphthalene;phenol;pyridin-2-amine;quinoline

C151H220N10O — CID 161138422

IUPACaniline;benzene;butane;ethylbenzene;5-ethyl-1H-imidazole;3-ethyl-1H-indole;bis(1-ethyl-4-methylbenzene);1-ethylnaphthalene;5-ethylpyridin-2-amine;5-ethylquinoline;bis(2-methylbutane);2-methylpropane;naphthalene;phenol;pyridin-2-amine;quinoline
SMILESCC(C)C.CCC(C)C.CCC(C)C.CCCC.CCCC.CCCC.CCCC.CCCC.CCCC.CCc1c[nH]c2ccccc12.CCc1ccc(C)cc1.CCc1ccc(C)cc1.CCc1ccc(N)nc1.CCc1cccc2ccccc12.CCc1cccc2ncccc12.CCc1ccccc1.CCc1cnc[nH]1.Nc1ccccc1.Nc1ccccn1.Oc1ccccc1.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccccc1
InChIInChI=1S/C12H12.C11H11N.C10H11N.C10H8.C9H7N.2C9H12.C8H10.C7H10N2.C6H7N.C6H6O.C6H6.C5H8N2.C5H6N2.2C5H12.7C4H10/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-2-9-5-3-7-11-10(9)6-4-8-12-11;1-2-8-7-11-10-6-4-3-5-9(8)10;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;2*1-3-9-6-4-8(2)5-7-9;1-2-8-6-4-3-5-7-8;1-2-6-3-4-7(8)9-5-6;2*7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2-5-3-6-4-7-5;6-5-3-1-2-4-7-5;2*1-4-5(2)3;1-4(2)3;6*1-3-4-2/h3-9H,2H2,1H3;3-8H,2H2,1H3;3-7,11H,2H2,1H3;1-8H;1-7H;2*4-7H,3H2,1-2H3;3-7H,2H2,1H3;3-5H,2H2,1H3,(H2,8,9);1-5H,7H2;1-5,7H;1-6H;3-4H,2H2,1H3,(H,6,7);1-4H,(H2,6,7);2*5H,4H2,1-3H3;4H,1-3H3;6*3-4H2,1-2H3
InChIKeyUNCLVNIDLKGICB-UHFFFAOYSA-N
MW2191.49 g/mol
LogP45.18
Rot. Bonds16

About aniline;benzene;butane;ethylbenzene;5-ethyl-1H-imidazole;3-ethyl-1H-indole;bis(1-ethyl-4-methylbenzene);1-ethylnaphthalene;5-ethylpyridin-2-amine;5-ethylquinoline;bis(2-methylbutane);2-methylpropane;naphthalene;phenol;pyridin-2-amine;quinoline

aniline;benzene;butane;ethylbenzene;5-ethyl-1H-imidazole;3-ethyl-1H-indole;bis(1-ethyl-4-methylbenzene);1-ethylnaphthalene;5-ethylpyridin-2-amine;5-ethylquinoline;bis(2-methylbutane);2-methylpropane;naphthalene;phenol;pyridin-2-amine;quinoline (PubChem CID 161138422) has the molecular formula C151H220N10O and a molecular weight of 2191.49 g/mol. Its IUPAC name is aniline;benzene;butane;ethylbenzene;5-ethyl-1H-imidazole;3-ethyl-1H-indole;bis(1-ethyl-4-methylbenzene);1-ethylnaphthalene;5-ethylpyridin-2-amine;5-ethylquinoline;bis(2-methylbutane);2-methylpropane;naphthalene;phenol;pyridin-2-amine;quinoline.

Molecular Properties

Compound Nameaniline;benzene;butane;ethylbenzene;5-ethyl-1H-imidazole;3-ethyl-1H-indole;bis(1-ethyl-4-methylbenzene);1-ethylnaphthalene;5-ethylpyridin-2-amine;5-ethylquinoline;bis(2-methylbutane);2-methylpropane;naphthalene;phenol;pyridin-2-amine;quinoline
PubChem CID161138422
Molecular FormulaC151H220N10O
Molecular Weight2191.49 g/mol
Exact Mass2189.75
IUPAC Nameaniline;benzene;butane;ethylbenzene;5-ethyl-1H-imidazole;3-ethyl-1H-indole;bis(1-ethyl-4-methylbenzene);1-ethylnaphthalene;5-ethylpyridin-2-amine;5-ethylquinoline;bis(2-methylbutane);2-methylpropane;naphthalene;phenol;pyridin-2-amine;quinoline
SMILESCC(C)C.CCC(C)C.CCC(C)C.CCCC.CCCC.CCCC.CCCC.CCCC.CCCC.CCc1c[nH]c2ccccc12.CCc1ccc(C)cc1.CCc1ccc(C)cc1.CCc1ccc(N)nc1.CCc1cccc2ccccc12.CCc1cccc2ncccc12.CCc1ccccc1.CCc1cnc[nH]1.Nc1ccccc1.Nc1ccccn1.Oc1ccccc1.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccccc1
InChIInChI=1S/C12H12.C11H11N.C10H11N.C10H8.C9H7N.2C9H12.C8H10.C7H10N2.C6H7N.C6H6O.C6H6.C5H8N2.C5H6N2.2C5H12.7C4H10/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-2-9-5-3-7-11-10(9)6-4-8-12-11;1-2-8-7-11-10-6-4-3-5-9(8)10;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;2*1-3-9-6-4-8(2)5-7-9;1-2-8-6-4-3-5-7-8;1-2-6-3-4-7(8)9-5-6;2*7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2-5-3-6-4-7-5;6-5-3-1-2-4-7-5;2*1-4-5(2)3;1-4(2)3;6*1-3-4-2/h3-9H,2H2,1H3;3-8H,2H2,1H3;3-7,11H,2H2,1H3;1-8H;1-7H;2*4-7H,3H2,1-2H3;3-7H,2H2,1H3;3-5H,2H2,1H3,(H2,8,9);1-5H,7H2;1-5,7H;1-6H;3-4H,2H2,1H3,(H,6,7);1-4H,(H2,6,7);2*5H,4H2,1-3H3;4H,1-3H3;6*3-4H2,1-2H3
InChIKeyUNCLVNIDLKGICB-UHFFFAOYSA-N
XLogP45.18
TPSA194.32 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002191.49
LogP ≤ 545.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze aniline;benzene;butane;ethylbenzene;5-ethyl-1H-imidazole;3-ethyl-1H-indole;bis(1-ethyl-4-methylbenzene);1-ethylnaphthalene;5-ethylpyridin-2-amine;5-ethylquinoline;bis(2-methylbutane);2-methylpropane;naphthalene;phenol;pyridin-2-amine;quinoline with MolForge

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Related Compounds

5-ethyl-2-fluoro-4-[3-[5-(quinolin-6-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl]phenol
CID 91669301
5-ethyl-2-fluoro-4-[3-[5-(quinolin-3-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-6-yl]phenol
CID 91669306
5,6-dimethyl-1H-benzimidazole;4,6-dimethyl-1H-indole;4,7-dimethylisoquinoline;2,5-dimethylphenol;1,4-dimethyl-2-propan-2-ylbenzene;3,7-dimethylquinoline;bis(1,4-dimethyl-2-(trifluoromethoxy)benzene);2-ethyl-1,4-dimethylbenzene
CID 160118575
3-[1-(2-Azabicyclo[2.1.1]hexan-5-yl)-2-ethyl-6-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[4,5-c]quinolin-8-yl]propanenitrile
CID 166478461
4-[6-[6-[(5-fluoro-2-hydroxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-2-(1-methylacridin-3-yl)-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 171614856
2-[6-fluoro-7-(3-hydroxynaphthalen-1-yl)-3H-imidazo[4,5-c]quinolin-8-yl]propanenitrile
CID 175843115
4-[2-[[2-(quinolin-6-ylamino)-7H-purin-6-yl]amino]ethyl]phenol
CID 117082496
10-acridin-9-ylanthracen-9-ol;1H-imidazole
CID 168327448
4-[2-[[2-(isoquinolin-1-ylamino)-7H-purin-6-yl]amino]ethyl]phenol
CID 117082488
4-[2-[[8-(isoquinolin-1-ylamino)-7H-purin-6-yl]amino]ethyl]phenol
CID 117086478
4-[2-[[8-(quinolin-6-ylamino)-7H-purin-6-yl]amino]ethyl]phenol
CID 117088714
n-(2-Hydroxyphenylmethyl)-n'-(1h-benzimidazol-2-ylmethyl)-n'-(5,6,7,8-tetrahydro-8-quinolinyl)-1,4-benzenedimethanamine
CID 22018567

Frequently Asked Questions

What is the IUPAC name of aniline;benzene;butane;ethylbenzene;5-ethyl-1H-imidazole;3-ethyl-1H-indole;bis(1-ethyl-4-methylbenzene);1-ethylnaphthalene;5-ethylpyridin-2-amine;5-ethylquinoline;bis(2-methylbutane);2-methylpropane;naphthalene;phenol;pyridin-2-amine;quinoline?
The IUPAC name of aniline;benzene;butane;ethylbenzene;5-ethyl-1H-imidazole;3-ethyl-1H-indole;bis(1-ethyl-4-methylbenzene);1-ethylnaphthalene;5-ethylpyridin-2-amine;5-ethylquinoline;bis(2-methylbutane);2-methylpropane;naphthalene;phenol;pyridin-2-amine;quinoline (CID 161138422) is aniline;benzene;butane;ethylbenzene;5-ethyl-1H-imidazole;3-ethyl-1H-indole;bis(1-ethyl-4-methylbenzene);1-ethylnaphthalene;5-ethylpyridin-2-amine;5-ethylquinoline;bis(2-methylbutane);2-methylpropane;naphthalene;phenol;pyridin-2-amine;quinoline.
What is the SMILES notation for aniline;benzene;butane;ethylbenzene;5-ethyl-1H-imidazole;3-ethyl-1H-indole;bis(1-ethyl-4-methylbenzene);1-ethylnaphthalene;5-ethylpyridin-2-amine;5-ethylquinoline;bis(2-methylbutane);2-methylpropane;naphthalene;phenol;pyridin-2-amine;quinoline?
The canonical SMILES for aniline;benzene;butane;ethylbenzene;5-ethyl-1H-imidazole;3-ethyl-1H-indole;bis(1-ethyl-4-methylbenzene);1-ethylnaphthalene;5-ethylpyridin-2-amine;5-ethylquinoline;bis(2-methylbutane);2-methylpropane;naphthalene;phenol;pyridin-2-amine;quinoline is CC(C)C.CCC(C)C.CCC(C)C.CCCC.CCCC.CCCC.CCCC.CCCC.CCCC.CCc1c[nH]c2ccccc12.CCc1ccc(C)cc1.CCc1ccc(C)cc1.CCc1ccc(N)nc1.CCc1cccc2ccccc12.CCc1cccc2ncccc12.CCc1ccccc1.CCc1cnc[nH]1.Nc1ccccc1.Nc1ccccn1.Oc1ccccc1.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccccc1.
What is the InChIKey of aniline;benzene;butane;ethylbenzene;5-ethyl-1H-imidazole;3-ethyl-1H-indole;bis(1-ethyl-4-methylbenzene);1-ethylnaphthalene;5-ethylpyridin-2-amine;5-ethylquinoline;bis(2-methylbutane);2-methylpropane;naphthalene;phenol;pyridin-2-amine;quinoline?
The InChIKey is UNCLVNIDLKGICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12.C11H11N.C10H11N.C10H8.C9H7N.2C9H12.C8H10.C7H10N2.C6H7N.C6H6O.C6H6.C5H8N2.C5H6N2.2C5H12.7C4H10/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;1-2-9-5-3-7-11-10(9)6-4-8-12-11;1-2-8-7-11-10-6-4-3-5-9(8)10;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;2*1-3-9-6-4-8(2)5-7-9;1-2-8-6-4-3-5-7-8;1-2-6-3-4-7(8)9-5-6;2*7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;1-2-5-3-6-4-7-5;6-5-3-1-2-4-7-5;2*1-4-5(2)3;1-4(2)3;6*1-3-4-2/h3-9H,2H2,1H3;3-8H,2H2,1H3;3-7,11H,2H2,1H3;1-8H;1-7H;2*4-7H,3H2,1-2H3;3-7H,2H2,1H3;3-5H,2H2,1H3,(H2,8,9);1-5H,7H2;1-5,7H;1-6H;3-4H,2H2,1H3,(H,6,7);1-4H,(H2,6,7);2*5H,4H2,1-3H3;4H,1-3H3;6*3-4H2,1-2H3.
What are the key properties of aniline;benzene;butane;ethylbenzene;5-ethyl-1H-imidazole;3-ethyl-1H-indole;bis(1-ethyl-4-methylbenzene);1-ethylnaphthalene;5-ethylpyridin-2-amine;5-ethylquinoline;bis(2-methylbutane);2-methylpropane;naphthalene;phenol;pyridin-2-amine;quinoline?
aniline;benzene;butane;ethylbenzene;5-ethyl-1H-imidazole;3-ethyl-1H-indole;bis(1-ethyl-4-methylbenzene);1-ethylnaphthalene;5-ethylpyridin-2-amine;5-ethylquinoline;bis(2-methylbutane);2-methylpropane;naphthalene;phenol;pyridin-2-amine;quinoline has a molecular weight of 2191.49 g/mol, XLogP of 45.18, 16 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;benzene;butane;ethylbenzene;5-ethyl-1H-imidazole;3-ethyl-1H-indole;bis(1-ethyl-4-methylbenzene);1-ethylnaphthalene;5-ethylpyridin-2-amine;5-ethylquinoline;bis(2-methylbutane);2-methylpropane;naphthalene;phenol;pyridin-2-amine;quinoline is sourced from PubChem (CID 161138422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).