bis(1,2-di(propan-2-yl)benzene);propane;1,2,5,6-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene;2,3,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene

C131H188 — CID 158195884

IUPACbis(1,2-di(propan-2-yl)benzene);propane;1,2,5,6-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene;2,3,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene
SMILESCC(C)c1cc2c(cc1C(C)C)Cc1c(ccc(C(C)C)c1C(C)C)C2.CC(C)c1cc2c(cc1C(C)C)Cc1cc(C(C)C)c(C(C)C)cc1C2.CC(C)c1ccc2c(c1C(C)C)Cc1c(ccc(C(C)C)c1C(C)C)C2.CC(C)c1ccc2c(c1C(C)C)Cc1ccc(C(C)C)c(C(C)C)c1C2.CC(C)c1ccccc1C(C)C.CC(C)c1ccccc1C(C)C.CCC
InChIInChI=1S/4C26H36.2C12H18.C3H8/c1-15(2)23-11-19-9-21-13-25(17(5)6)26(18(7)8)14-22(21)10-20(19)12-24(23)16(3)4;1-15(2)21-11-9-19-14-24-20(13-23(19)25(21)17(5)6)10-12-22(16(3)4)26(24)18(7)8;1-15(2)21-11-9-19-13-20-10-12-22(16(3)4)26(18(7)8)24(20)14-23(19)25(21)17(5)6;1-15(2)22-10-9-19-11-20-12-23(16(3)4)24(17(5)6)13-21(20)14-25(19)26(22)18(7)8;2*1-9(2)11-7-5-6-8-12(11)10(3)4;1-3-2/h11-18H,9-10H2,1-8H3;2*9-12,15-18H,13-14H2,1-8H3;9-10,12-13,15-18H,11,14H2,1-8H3;2*5-10H,1-4H3;3H2,1-2H3
InChIKeyGAIIMCRAKQUMPO-UHFFFAOYSA-N
MW1762.94 g/mol
LogP39.98
Rot. Bonds20

About bis(1,2-di(propan-2-yl)benzene);propane;1,2,5,6-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene;2,3,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene

bis(1,2-di(propan-2-yl)benzene);propane;1,2,5,6-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene;2,3,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene (PubChem CID 158195884) has the molecular formula C131H188 and a molecular weight of 1762.94 g/mol. Its IUPAC name is bis(1,2-di(propan-2-yl)benzene);propane;1,2,5,6-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene;2,3,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene.

Molecular Properties

Compound Namebis(1,2-di(propan-2-yl)benzene);propane;1,2,5,6-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene;2,3,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene
PubChem CID158195884
Molecular FormulaC131H188
Molecular Weight1762.94 g/mol
Exact Mass1761.47
IUPAC Namebis(1,2-di(propan-2-yl)benzene);propane;1,2,5,6-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene;2,3,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene
SMILESCC(C)c1cc2c(cc1C(C)C)Cc1c(ccc(C(C)C)c1C(C)C)C2.CC(C)c1cc2c(cc1C(C)C)Cc1cc(C(C)C)c(C(C)C)cc1C2.CC(C)c1ccc2c(c1C(C)C)Cc1c(ccc(C(C)C)c1C(C)C)C2.CC(C)c1ccc2c(c1C(C)C)Cc1ccc(C(C)C)c(C(C)C)c1C2.CC(C)c1ccccc1C(C)C.CC(C)c1ccccc1C(C)C.CCC
InChIInChI=1S/4C26H36.2C12H18.C3H8/c1-15(2)23-11-19-9-21-13-25(17(5)6)26(18(7)8)14-22(21)10-20(19)12-24(23)16(3)4;1-15(2)21-11-9-19-14-24-20(13-23(19)25(21)17(5)6)10-12-22(16(3)4)26(24)18(7)8;1-15(2)21-11-9-19-13-20-10-12-22(16(3)4)26(18(7)8)24(20)14-23(19)25(21)17(5)6;1-15(2)22-10-9-19-11-20-12-23(16(3)4)24(17(5)6)13-21(20)14-25(19)26(22)18(7)8;2*1-9(2)11-7-5-6-8-12(11)10(3)4;1-3-2/h11-18H,9-10H2,1-8H3;2*9-12,15-18H,13-14H2,1-8H3;9-10,12-13,15-18H,11,14H2,1-8H3;2*5-10H,1-4H3;3H2,1-2H3
InChIKeyGAIIMCRAKQUMPO-UHFFFAOYSA-N
XLogP39.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms131
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001762.94
LogP ≤ 539.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze bis(1,2-di(propan-2-yl)benzene);propane;1,2,5,6-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene;2,3,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(1,2-di(propan-2-yl)benzene);propane;1,2,5,6-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene;2,3,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,6,7-tetra(propan-2-yl)naphthalene;2,3,6,7-tetra(propan-2-yl)naphthalene
CID 157080492
1-[2,3-di(propan-2-yl)phenyl]-9H-fluorene
CID 151273743
1-[[3,4-di(propan-2-yl)phenyl]methyl]-2,3-di(propan-2-yl)benzene
CID 157084325
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
aziridine;1,2-di(propan-2-yl)benzene
CID 88841585
1-butan-2-yl-2-propan-2-ylbenzene;ethane
CID 143715642
1,8-di(propan-2-yl)-9H-fluorene
CID 160592533
azane;1,2-di(propan-2-yl)naphthalene
CID 172719874
1,2,11-tri(propan-2-yl)-5,6-dihydrobenzo[b][1]benzazepine
CID 118217240
5,8,13,14-tetrahydropentaphene
CID 161368209
3,3-dimethyl-6,7-di(propan-2-yl)-1,2-dihydroindene
CID 139772831
1,2-di(propan-2-yl)naphthalene;hydrogen peroxide
CID 19002409

Frequently Asked Questions

What is the IUPAC name of bis(1,2-di(propan-2-yl)benzene);propane;1,2,5,6-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene;2,3,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene?
The IUPAC name of bis(1,2-di(propan-2-yl)benzene);propane;1,2,5,6-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene;2,3,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene (CID 158195884) is bis(1,2-di(propan-2-yl)benzene);propane;1,2,5,6-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene;2,3,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene.
What is the SMILES notation for bis(1,2-di(propan-2-yl)benzene);propane;1,2,5,6-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene;2,3,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene?
The canonical SMILES for bis(1,2-di(propan-2-yl)benzene);propane;1,2,5,6-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene;2,3,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene is CC(C)c1cc2c(cc1C(C)C)Cc1c(ccc(C(C)C)c1C(C)C)C2.CC(C)c1cc2c(cc1C(C)C)Cc1cc(C(C)C)c(C(C)C)cc1C2.CC(C)c1ccc2c(c1C(C)C)Cc1c(ccc(C(C)C)c1C(C)C)C2.CC(C)c1ccc2c(c1C(C)C)Cc1ccc(C(C)C)c(C(C)C)c1C2.CC(C)c1ccccc1C(C)C.CC(C)c1ccccc1C(C)C.CCC.
What is the InChIKey of bis(1,2-di(propan-2-yl)benzene);propane;1,2,5,6-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene;2,3,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene?
The InChIKey is GAIIMCRAKQUMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/4C26H36.2C12H18.C3H8/c1-15(2)23-11-19-9-21-13-25(17(5)6)26(18(7)8)14-22(21)10-20(19)12-24(23)16(3)4;1-15(2)21-11-9-19-14-24-20(13-23(19)25(21)17(5)6)10-12-22(16(3)4)26(24)18(7)8;1-15(2)21-11-9-19-13-20-10-12-22(16(3)4)26(18(7)8)24(20)14-23(19)25(21)17(5)6;1-15(2)22-10-9-19-11-20-12-23(16(3)4)24(17(5)6)13-21(20)14-25(19)26(22)18(7)8;2*1-9(2)11-7-5-6-8-12(11)10(3)4;1-3-2/h11-18H,9-10H2,1-8H3;2*9-12,15-18H,13-14H2,1-8H3;9-10,12-13,15-18H,11,14H2,1-8H3;2*5-10H,1-4H3;3H2,1-2H3.
What are the key properties of bis(1,2-di(propan-2-yl)benzene);propane;1,2,5,6-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene;2,3,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene?
bis(1,2-di(propan-2-yl)benzene);propane;1,2,5,6-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene;2,3,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene has a molecular weight of 1762.94 g/mol, XLogP of 39.98, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2-di(propan-2-yl)benzene);propane;1,2,5,6-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene;1,2,7,8-tetra(propan-2-yl)-9,10-dihydroanthracene;2,3,6,7-tetra(propan-2-yl)-9,10-dihydroanthracene is sourced from PubChem (CID 158195884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).