1-tert-butyl-2H-benzo[cd]indole;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-1,2-dihydroacenaphthylene;4-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dimethylbenzene;9-tert-butyl-9H-fluorene;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylnaphthalen-2-ol;8-tert-butylnaphthalen-1-ol;methane;prop-1-ene

C222H276ClF2N3O5 — CID 167632685

IUPAC1-tert-butyl-2H-benzo[cd]indole;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-1,2-dihydroacenaphthylene;4-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dimethylbenzene;9-tert-butyl-9H-fluorene;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylnaphthalen-2-ol;8-tert-butylnaphthalen-1-ol;methane;prop-1-ene
SMILESC.C.C=CC.CC(C)(C)C1Cc2cccc3cccc1c23.CC(C)(C)C1c2ccccc2-c2ccccc21.CC(C)(C)N1Cc2cccc3cccc1c23.CC(C)(C)c1c(O)cccc1F.CC(C)(C)c1cc(O)cc2ccccc12.CC(C)(C)c1cc(O)ccc1F.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2c1CCC2.CC(C)(C)c1cccc2c1CCO2.CC(C)(C)c1cccc2cccc(Cl)c12.CC(C)(C)c1cccc2cccc(O)c12.CC(C)(C)c1cccc2ccccc12.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2ccccc2c1C(C)(C)C.Cc1cccc(C(C)(C)C)c1C.Cc1cccc2cccc(C(C)(C)C)c12
InChIInChI=1S/C17H18.C16H18.C15H17N.2C15H18.C14H15Cl.2C14H16O.2C14H16.C13H18.C12H16N2.C12H16O.C12H18.2C10H13FO.C3H6.2CH4/c1-17(2,3)16-14-10-6-4-8-12(14)13-9-5-7-11-15(13)16;1-16(2,3)14-10-12-8-4-6-11-7-5-9-13(14)15(11)12;1-15(2,3)16-10-12-8-4-6-11-7-5-9-13(16)14(11)12;1-11-7-5-8-12-9-6-10-13(14(11)12)15(2,3)4;1-11-9-10-12-7-5-6-8-13(12)14(11)15(2,3)4;2*1-14(2,3)11-8-4-6-10-7-5-9-12(15)13(10)11;1-14(2,3)13-9-11(15)8-10-6-4-5-7-12(10)13;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-9-7-6-8-11(10(9)2)12(3,4)5;1-10(2,3)8-6-7(12)4-5-9(8)11;1-10(2,3)9-7(11)5-4-6-8(9)12;1-3-2;;/h4-11,16H,1-3H3;4-9,14H,10H2,1-3H3;4-9H,10H2,1-3H3;2*5-10H,1-4H3;4-9H,1-3H3;2*4-9,15H,1-3H3;2*4-10H,1-3H3;5,7,9H,4,6,8H2,1-3H3;5-7H,1-4H3,(H,13,14);4-6H,7-8H2,1-3H3;6-8H,1-5H3;2*4-6,12H,1-3H3;3H,1H2,2H3;2*1H4
InChIKeyOAKDZPPXHOUWEF-UHFFFAOYSA-N
MW3140.11 g/mol
LogP64.26
Rot. Bonds

About 1-tert-butyl-2H-benzo[cd]indole;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-1,2-dihydroacenaphthylene;4-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dimethylbenzene;9-tert-butyl-9H-fluorene;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylnaphthalen-2-ol;8-tert-butylnaphthalen-1-ol;methane;prop-1-ene

1-tert-butyl-2H-benzo[cd]indole;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-1,2-dihydroacenaphthylene;4-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dimethylbenzene;9-tert-butyl-9H-fluorene;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylnaphthalen-2-ol;8-tert-butylnaphthalen-1-ol;methane;prop-1-ene (PubChem CID 167632685) has the molecular formula C222H276ClF2N3O5 and a molecular weight of 3140.11 g/mol. Its IUPAC name is 1-tert-butyl-2H-benzo[cd]indole;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-1,2-dihydroacenaphthylene;4-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dimethylbenzene;9-tert-butyl-9H-fluorene;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylnaphthalen-2-ol;8-tert-butylnaphthalen-1-ol;methane;prop-1-ene.

Molecular Properties

Compound Name1-tert-butyl-2H-benzo[cd]indole;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-1,2-dihydroacenaphthylene;4-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dimethylbenzene;9-tert-butyl-9H-fluorene;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylnaphthalen-2-ol;8-tert-butylnaphthalen-1-ol;methane;prop-1-ene
PubChem CID167632685
Molecular FormulaC222H276ClF2N3O5
Molecular Weight3140.11 g/mol
Exact Mass3137.11
IUPAC Name1-tert-butyl-2H-benzo[cd]indole;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-1,2-dihydroacenaphthylene;4-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dimethylbenzene;9-tert-butyl-9H-fluorene;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylnaphthalen-2-ol;8-tert-butylnaphthalen-1-ol;methane;prop-1-ene
SMILESC.C.C=CC.CC(C)(C)C1Cc2cccc3cccc1c23.CC(C)(C)C1c2ccccc2-c2ccccc21.CC(C)(C)N1Cc2cccc3cccc1c23.CC(C)(C)c1c(O)cccc1F.CC(C)(C)c1cc(O)cc2ccccc12.CC(C)(C)c1cc(O)ccc1F.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2c1CCC2.CC(C)(C)c1cccc2c1CCO2.CC(C)(C)c1cccc2cccc(Cl)c12.CC(C)(C)c1cccc2cccc(O)c12.CC(C)(C)c1cccc2ccccc12.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2ccccc2c1C(C)(C)C.Cc1cccc(C(C)(C)C)c1C.Cc1cccc2cccc(C(C)(C)C)c12
InChIInChI=1S/C17H18.C16H18.C15H17N.2C15H18.C14H15Cl.2C14H16O.2C14H16.C13H18.C12H16N2.C12H16O.C12H18.2C10H13FO.C3H6.2CH4/c1-17(2,3)16-14-10-6-4-8-12(14)13-9-5-7-11-15(13)16;1-16(2,3)14-10-12-8-4-6-11-7-5-9-13(14)15(11)12;1-15(2,3)16-10-12-8-4-6-11-7-5-9-13(16)14(11)12;1-11-7-5-8-12-9-6-10-13(14(11)12)15(2,3)4;1-11-9-10-12-7-5-6-8-13(12)14(11)15(2,3)4;2*1-14(2,3)11-8-4-6-10-7-5-9-12(15)13(10)11;1-14(2,3)13-9-11(15)8-10-6-4-5-7-12(10)13;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-9-7-6-8-11(10(9)2)12(3,4)5;1-10(2,3)8-6-7(12)4-5-9(8)11;1-10(2,3)9-7(11)5-4-6-8(9)12;1-3-2;;/h4-11,16H,1-3H3;4-9,14H,10H2,1-3H3;4-9H,10H2,1-3H3;2*5-10H,1-4H3;4-9H,1-3H3;2*4-9,15H,1-3H3;2*4-10H,1-3H3;5,7,9H,4,6,8H2,1-3H3;5-7H,1-4H3,(H,13,14);4-6H,7-8H2,1-3H3;6-8H,1-5H3;2*4-6,12H,1-3H3;3H,1H2,2H3;2*1H4
InChIKeyOAKDZPPXHOUWEF-UHFFFAOYSA-N
XLogP64.26
TPSA122.07 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms233
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003140.11
LogP ≤ 564.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-2H-benzo[cd]indole;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-1,2-dihydroacenaphthylene;4-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dimethylbenzene;9-tert-butyl-9H-fluorene;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylnaphthalen-2-ol;8-tert-butylnaphthalen-1-ol;methane;prop-1-ene with MolForge

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Launch Full Analysis

Related Compounds

1-chloro-4-fluoro-2-propan-2-ylbenzene;4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-3-propan-2-ylphenol;1,4-dichloro-2-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,6-dimethyl-7-propan-2-ylindazole;2,4-dimethyl-3-propan-2-ylphenol;1-fluoro-4-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;4-methoxy-1-methyl-2-propan-2-ylbenzene;5-methyl-4-propan-2-yl-1H-indazole;1-methyl-8-propan-2-ylnaphthalene;4-methyl-3-propan-2-ylphenol;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene
CID 157120504
bis(1-chloro-4-fluoro-2-propan-2-ylbenzene);4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-3-propan-2-ylphenol;1,4-dichloro-2-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,6-dimethyl-7-propan-2-ylindazole;2,4-dimethyl-3-propan-2-ylphenol;1-fluoro-4-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;4-methoxy-1-methyl-2-propan-2-ylbenzene;5-methyl-4-propan-2-yl-1H-indazole;1-methyl-8-propan-2-ylnaphthalene;4-methyl-3-propan-2-ylphenol;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene
CID 160988445
bis(1-chloro-4-fluoro-2-propan-2-ylbenzene);4-chloro-1-fluoro-2-propan-2-ylbenzene;1-chloro-3-methoxy-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;4-chloro-3-propan-2-ylphenol;1,4-dichloro-2-propan-2-ylbenzene;1-(difluoromethyl)-3-propan-2-ylbenzene;1,3-difluoro-2-propan-2-ylbenzene;1,4-difluoro-2-propan-2-ylbenzene;1,3-dimethyl-2-propan-2-ylbenzene;1,6-dimethyl-7-propan-2-ylindazole;2,4-dimethyl-3-propan-2-ylphenol;1-fluoro-4-methoxy-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;3-fluoro-2-propan-2-ylphenol;4-fluoro-3-propan-2-ylphenol;4-methoxy-1-methyl-2-propan-2-ylbenzene;5-methyl-4-propan-2-yl-1H-indazole;1-methyl-8-propan-2-ylnaphthalene;4-methyl-3-propan-2-ylphenol;1-methyl-2-propan-2-yl-4-(trifluoromethyl)benzene;1-propan-2-ylnaphthalene
CID 161514254
1-tert-butyl-2H-benzo[cd]indole;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-1,2-dihydroacenaphthylene;4-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dimethylbenzene;9-tert-butyl-9H-fluorene;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylnaphthalen-2-ol;8-tert-butylnaphthalen-1-ol;prop-1-ene
CID 167552518
tert-butylbenzene;4-tert-butyl-2-chloro-3-(1-fluoroethyl)aniline;4-tert-butyl-5-chloro-6-fluoro-1H-indazole;1-tert-butyl-2-chloro-3-methylbenzene;4-tert-butyl-2,3-dihydro-1-benzofuran;bis(1-tert-butyl-2,3-dimethylbenzene);4-tert-butyl-5,6-dimethyl-1H-indazole;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;7-tert-butyl-1H-indene;3-tert-butyl-4-iodophenol;7-tert-butyl-1H-isoindole;4-tert-butyl-5-methyl-1H-indazole;7-tert-butyl-1-methylindole;prop-1-ene
CID 167704220

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2H-benzo[cd]indole;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-1,2-dihydroacenaphthylene;4-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dimethylbenzene;9-tert-butyl-9H-fluorene;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylnaphthalen-2-ol;8-tert-butylnaphthalen-1-ol;methane;prop-1-ene?
The IUPAC name of 1-tert-butyl-2H-benzo[cd]indole;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-1,2-dihydroacenaphthylene;4-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dimethylbenzene;9-tert-butyl-9H-fluorene;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylnaphthalen-2-ol;8-tert-butylnaphthalen-1-ol;methane;prop-1-ene (CID 167632685) is 1-tert-butyl-2H-benzo[cd]indole;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-1,2-dihydroacenaphthylene;4-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dimethylbenzene;9-tert-butyl-9H-fluorene;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylnaphthalen-2-ol;8-tert-butylnaphthalen-1-ol;methane;prop-1-ene.
What is the SMILES notation for 1-tert-butyl-2H-benzo[cd]indole;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-1,2-dihydroacenaphthylene;4-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dimethylbenzene;9-tert-butyl-9H-fluorene;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylnaphthalen-2-ol;8-tert-butylnaphthalen-1-ol;methane;prop-1-ene?
The canonical SMILES for 1-tert-butyl-2H-benzo[cd]indole;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-1,2-dihydroacenaphthylene;4-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dimethylbenzene;9-tert-butyl-9H-fluorene;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylnaphthalen-2-ol;8-tert-butylnaphthalen-1-ol;methane;prop-1-ene is C.C.C=CC.CC(C)(C)C1Cc2cccc3cccc1c23.CC(C)(C)C1c2ccccc2-c2ccccc21.CC(C)(C)N1Cc2cccc3cccc1c23.CC(C)(C)c1c(O)cccc1F.CC(C)(C)c1cc(O)cc2ccccc12.CC(C)(C)c1cc(O)ccc1F.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1cccc2c1CCC2.CC(C)(C)c1cccc2c1CCO2.CC(C)(C)c1cccc2cccc(Cl)c12.CC(C)(C)c1cccc2cccc(O)c12.CC(C)(C)c1cccc2ccccc12.Cc1ccc2[nH]ncc2c1C(C)(C)C.Cc1ccc2ccccc2c1C(C)(C)C.Cc1cccc(C(C)(C)C)c1C.Cc1cccc2cccc(C(C)(C)C)c12.
What is the InChIKey of 1-tert-butyl-2H-benzo[cd]indole;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-1,2-dihydroacenaphthylene;4-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dimethylbenzene;9-tert-butyl-9H-fluorene;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylnaphthalen-2-ol;8-tert-butylnaphthalen-1-ol;methane;prop-1-ene?
The InChIKey is OAKDZPPXHOUWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18.C16H18.C15H17N.2C15H18.C14H15Cl.2C14H16O.2C14H16.C13H18.C12H16N2.C12H16O.C12H18.2C10H13FO.C3H6.2CH4/c1-17(2,3)16-14-10-6-4-8-12(14)13-9-5-7-11-15(13)16;1-16(2,3)14-10-12-8-4-6-11-7-5-9-13(14)15(11)12;1-15(2,3)16-10-12-8-4-6-11-7-5-9-13(16)14(11)12;1-11-7-5-8-12-9-6-10-13(14(11)12)15(2,3)4;1-11-9-10-12-7-5-6-8-13(12)14(11)15(2,3)4;2*1-14(2,3)11-8-4-6-10-7-5-9-12(15)13(10)11;1-14(2,3)13-9-11(15)8-10-6-4-5-7-12(10)13;1-14(2,3)13-10-6-8-11-7-4-5-9-12(11)13;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-8-5-6-10-9(7-13-14-10)11(8)12(2,3)4;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;1-9-7-6-8-11(10(9)2)12(3,4)5;1-10(2,3)8-6-7(12)4-5-9(8)11;1-10(2,3)9-7(11)5-4-6-8(9)12;1-3-2;;/h4-11,16H,1-3H3;4-9,14H,10H2,1-3H3;4-9H,10H2,1-3H3;2*5-10H,1-4H3;4-9H,1-3H3;2*4-9,15H,1-3H3;2*4-10H,1-3H3;5,7,9H,4,6,8H2,1-3H3;5-7H,1-4H3,(H,13,14);4-6H,7-8H2,1-3H3;6-8H,1-5H3;2*4-6,12H,1-3H3;3H,1H2,2H3;2*1H4.
What are the key properties of 1-tert-butyl-2H-benzo[cd]indole;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-1,2-dihydroacenaphthylene;4-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dimethylbenzene;9-tert-butyl-9H-fluorene;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylnaphthalen-2-ol;8-tert-butylnaphthalen-1-ol;methane;prop-1-ene?
1-tert-butyl-2H-benzo[cd]indole;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-1,2-dihydroacenaphthylene;4-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dimethylbenzene;9-tert-butyl-9H-fluorene;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylnaphthalen-2-ol;8-tert-butylnaphthalen-1-ol;methane;prop-1-ene has a molecular weight of 3140.11 g/mol, XLogP of 64.26, 0 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2H-benzo[cd]indole;1-tert-butyl-8-chloronaphthalene;1-tert-butyl-1,2-dihydroacenaphthylene;4-tert-butyl-2,3-dihydro-1-benzofuran;4-tert-butyl-2,3-dihydro-1H-indene;1-tert-butyl-2,3-dimethylbenzene;9-tert-butyl-9H-fluorene;2-tert-butyl-3-fluorophenol;3-tert-butyl-4-fluorophenol;4-tert-butyl-5-methyl-1H-indazole;1-tert-butyl-2-methylnaphthalene;1-tert-butyl-8-methylnaphthalene;1-tert-butylnaphthalene;2-tert-butylnaphthalene;4-tert-butylnaphthalen-2-ol;8-tert-butylnaphthalen-1-ol;methane;prop-1-ene is sourced from PubChem (CID 167632685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).