pentakis(benzene-1,3-diol);1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-phenyl-4-propan-2-ylbenzene;propane

C88H114O10 — CID 158005852

IUPACpentakis(benzene-1,3-diol);1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-phenyl-4-propan-2-ylbenzene;propane
SMILESCC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C2CCCCC2)cc1.CCC.Oc1cccc(O)c1.Oc1cccc(O)c1.Oc1cccc(O)c1.Oc1cccc(O)c1.Oc1cccc(O)c1
InChIInChI=1S/C15H22.C15H16.C13H20.C12H18.5C6H6O2.C3H8/c2*1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-9(2)11-5-7-12(8-6-11)10(3)4;5*7-5-2-1-3-6(8)4-5;1-3-2/h8-12,14H,3-7H2,1-2H3;3-12H,1-2H3;6-10H,1-5H3;5-10H,1-4H3;5*1-4,7-8H;3H2,1-2H3
InChIKeyFEGZRSXVXXCYQA-UHFFFAOYSA-N
MW1331.87 g/mol
LogP24.28
Rot. Bonds7

About pentakis(benzene-1,3-diol);1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-phenyl-4-propan-2-ylbenzene;propane

pentakis(benzene-1,3-diol);1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-phenyl-4-propan-2-ylbenzene;propane (PubChem CID 158005852) has the molecular formula C88H114O10 and a molecular weight of 1331.87 g/mol. Its IUPAC name is pentakis(benzene-1,3-diol);1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-phenyl-4-propan-2-ylbenzene;propane.

Molecular Properties

Compound Namepentakis(benzene-1,3-diol);1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-phenyl-4-propan-2-ylbenzene;propane
PubChem CID158005852
Molecular FormulaC88H114O10
Molecular Weight1331.87 g/mol
Exact Mass1330.84
IUPAC Namepentakis(benzene-1,3-diol);1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-phenyl-4-propan-2-ylbenzene;propane
SMILESCC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C2CCCCC2)cc1.CCC.Oc1cccc(O)c1.Oc1cccc(O)c1.Oc1cccc(O)c1.Oc1cccc(O)c1.Oc1cccc(O)c1
InChIInChI=1S/C15H22.C15H16.C13H20.C12H18.5C6H6O2.C3H8/c2*1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-9(2)11-5-7-12(8-6-11)10(3)4;5*7-5-2-1-3-6(8)4-5;1-3-2/h8-12,14H,3-7H2,1-2H3;3-12H,1-2H3;6-10H,1-5H3;5-10H,1-4H3;5*1-4,7-8H;3H2,1-2H3
InChIKeyFEGZRSXVXXCYQA-UHFFFAOYSA-N
XLogP24.28
TPSA202.30 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001331.87
LogP ≤ 524.28
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Analyze pentakis(benzene-1,3-diol);1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-phenyl-4-propan-2-ylbenzene;propane with MolForge

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Related Compounds

4-[(4-butan-2-ylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methyl]benzene-1,3-diol;4-[(2,4-dihydroxyphenyl)-(4-phenylphenyl)methyl]benzene-1,3-diol
CID 157324960
9-N,24-N-bis(4-tert-butylphenyl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;9-N,24-N-bis(4-cyclohexylphenyl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;9-N,24-N-bis(4-ethylphenyl)-9-N,24-N,3,18-tetraphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;9-N,24-N,3,18-tetraphenyl-9-N,24-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine
CID 157278860
8-N,23-N-bis(4-tert-butylphenyl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(4-cyclohexylphenyl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(4-ethylphenyl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-bis(4-methylphenyl)-8-N,23-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,23-N-diphenyl-8-N,23-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
CID 165000066
9-N,24-N-bis(4-tert-butylphenyl)-9-N,24-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;9-N,24-N-bis(4-cyclohexylphenyl)-9-N,24-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;9-N,24-N-bis(4-ethylphenyl)-9-N,24-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;9-N,24-N-diphenyl-9-N,24-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine;9-N,9-N,24-N,24-N-tetrakis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-9,24-diamine
CID 157398178
tert-butylbenzene;cyclohexylbenzene
CID 158089404
6-N,12-N-bis(4-cyclohexylphenyl)-6-N,12-N-bis(4-hexylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(4-hexylphenyl)-6-N,12-N-bis[4-(2-phenylpropan-2-yl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis[4-(2-phenylpropan-2-yl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis[4-(2-phenylpropan-2-yl)phenyl]-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine
CID 159967041
1-tert-butyl-4-[3-(4-propan-2-ylphenyl)cyclopentyl]benzene
CID 58371806
ethane;phenol;1-phenyl-4-propan-2-ylbenzene
CID 159836751
1-cyclohexyl-4-(4-cyclohexylphenyl)benzene;hydrogen peroxide
CID 175051125
13-N,28-N-bis(4-tert-butylphenyl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,28-N-bis(4-cyclohexylphenyl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,28-N-bis(4-ethylphenyl)-13-N,28-N-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N-(4-tert-butylphenyl)-13-N,28-N,28-N-tris(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,28-N-diphenyl-13-N,28-N-bis(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine;13-N,13-N,28-N,28-N-tetrakis(4-methylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 167630028
4-[(4-butan-2-ylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexyl-2,5-dimethylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(4-cyclohexylphenyl)-(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;4-[(2,4-dihydroxyphenyl)-(4-phenylphenyl)methyl]benzene-1,3-diol
CID 160612259
1-cyclopentyl-4-[4-(4,4-dimethylpentan-2-yl)phenyl]benzene
CID 23566418

Frequently Asked Questions

What is the IUPAC name of pentakis(benzene-1,3-diol);1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-phenyl-4-propan-2-ylbenzene;propane?
The IUPAC name of pentakis(benzene-1,3-diol);1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-phenyl-4-propan-2-ylbenzene;propane (CID 158005852) is pentakis(benzene-1,3-diol);1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-phenyl-4-propan-2-ylbenzene;propane.
What is the SMILES notation for pentakis(benzene-1,3-diol);1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-phenyl-4-propan-2-ylbenzene;propane?
The canonical SMILES for pentakis(benzene-1,3-diol);1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-phenyl-4-propan-2-ylbenzene;propane is CC(C)c1ccc(-c2ccccc2)cc1.CC(C)c1ccc(C(C)(C)C)cc1.CC(C)c1ccc(C(C)C)cc1.CC(C)c1ccc(C2CCCCC2)cc1.CCC.Oc1cccc(O)c1.Oc1cccc(O)c1.Oc1cccc(O)c1.Oc1cccc(O)c1.Oc1cccc(O)c1.
What is the InChIKey of pentakis(benzene-1,3-diol);1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-phenyl-4-propan-2-ylbenzene;propane?
The InChIKey is FEGZRSXVXXCYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22.C15H16.C13H20.C12H18.5C6H6O2.C3H8/c2*1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;1-10(2)11-6-8-12(9-7-11)13(3,4)5;1-9(2)11-5-7-12(8-6-11)10(3)4;5*7-5-2-1-3-6(8)4-5;1-3-2/h8-12,14H,3-7H2,1-2H3;3-12H,1-2H3;6-10H,1-5H3;5-10H,1-4H3;5*1-4,7-8H;3H2,1-2H3.
What are the key properties of pentakis(benzene-1,3-diol);1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-phenyl-4-propan-2-ylbenzene;propane?
pentakis(benzene-1,3-diol);1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-phenyl-4-propan-2-ylbenzene;propane has a molecular weight of 1331.87 g/mol, XLogP of 24.28, 7 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(benzene-1,3-diol);1-tert-butyl-4-propan-2-ylbenzene;1-cyclohexyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;1-phenyl-4-propan-2-ylbenzene;propane is sourced from PubChem (CID 158005852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).