bis(1,2,5,6-tetra(propan-2-yl)anthracene);1,2,7,8-tetra(propan-2-yl)anthracene

C78H102 — CID 165025507

IUPACbis(1,2,5,6-tetra(propan-2-yl)anthracene);1,2,7,8-tetra(propan-2-yl)anthracene
SMILESCC(C)c1ccc2cc3c(C(C)C)c(C(C)C)ccc3cc2c1C(C)C.CC(C)c1ccc2cc3c(C(C)C)c(C(C)C)ccc3cc2c1C(C)C.CC(C)c1ccc2cc3ccc(C(C)C)c(C(C)C)c3cc2c1C(C)C
InChIInChI=1S/3C26H34/c2*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/h3*9-18H,1-8H3
InChIKeyLVASDZNBOLDSJO-UHFFFAOYSA-N
MW1039.67 g/mol
LogP25.46
Rot. Bonds12

About bis(1,2,5,6-tetra(propan-2-yl)anthracene);1,2,7,8-tetra(propan-2-yl)anthracene

bis(1,2,5,6-tetra(propan-2-yl)anthracene);1,2,7,8-tetra(propan-2-yl)anthracene (PubChem CID 165025507) has the molecular formula C78H102 and a molecular weight of 1039.67 g/mol. Its IUPAC name is bis(1,2,5,6-tetra(propan-2-yl)anthracene);1,2,7,8-tetra(propan-2-yl)anthracene.

Molecular Properties

Compound Namebis(1,2,5,6-tetra(propan-2-yl)anthracene);1,2,7,8-tetra(propan-2-yl)anthracene
PubChem CID165025507
Molecular FormulaC78H102
Molecular Weight1039.67 g/mol
Exact Mass1038.80
IUPAC Namebis(1,2,5,6-tetra(propan-2-yl)anthracene);1,2,7,8-tetra(propan-2-yl)anthracene
SMILESCC(C)c1ccc2cc3c(C(C)C)c(C(C)C)ccc3cc2c1C(C)C.CC(C)c1ccc2cc3c(C(C)C)c(C(C)C)ccc3cc2c1C(C)C.CC(C)c1ccc2cc3ccc(C(C)C)c(C(C)C)c3cc2c1C(C)C
InChIInChI=1S/3C26H34/c2*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/h3*9-18H,1-8H3
InChIKeyLVASDZNBOLDSJO-UHFFFAOYSA-N
XLogP25.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001039.67
LogP ≤ 525.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

6-methyl-1,2,7-tri(propan-2-yl)naphthalene
CID 142283671
azane;1,2-di(propan-2-yl)naphthalene
CID 172719874
1,2-di(propan-2-yl)naphthalene;hydrogen peroxide
CID 19002409
1,2-di(propan-2-yl)naphthalene;1H-pyrrole
CID 175415753
5-[5,6-di(propan-2-yl)naphthalen-2-yl]-2-propan-2-ylpyrimidine
CID 58462634
1,7-dimethyl-2,6-di(propan-2-yl)anthracene
CID 142283655
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-dimethyl-5,6-di(propan-2-yl)naphthalene
CID 142283660
1-methyl-2,3,4-tri(propan-2-yl)benzene
CID 22369929
7-methyl-1-propan-2-ylanthracene
CID 144739282
1-propan-2-ylanthracene;2-propan-2-ylanthracene;9-propan-2-ylanthracene;1-propan-2-ylnaphthalene;2-propan-2-ylnaphthalene
CID 160911611
2,3,6,7,9,10-hexa(propan-2-yl)phenanthrene
CID 177088440

Frequently Asked Questions

What is the IUPAC name of bis(1,2,5,6-tetra(propan-2-yl)anthracene);1,2,7,8-tetra(propan-2-yl)anthracene?
The IUPAC name of bis(1,2,5,6-tetra(propan-2-yl)anthracene);1,2,7,8-tetra(propan-2-yl)anthracene (CID 165025507) is bis(1,2,5,6-tetra(propan-2-yl)anthracene);1,2,7,8-tetra(propan-2-yl)anthracene.
What is the SMILES notation for bis(1,2,5,6-tetra(propan-2-yl)anthracene);1,2,7,8-tetra(propan-2-yl)anthracene?
The canonical SMILES for bis(1,2,5,6-tetra(propan-2-yl)anthracene);1,2,7,8-tetra(propan-2-yl)anthracene is CC(C)c1ccc2cc3c(C(C)C)c(C(C)C)ccc3cc2c1C(C)C.CC(C)c1ccc2cc3c(C(C)C)c(C(C)C)ccc3cc2c1C(C)C.CC(C)c1ccc2cc3ccc(C(C)C)c(C(C)C)c3cc2c1C(C)C.
What is the InChIKey of bis(1,2,5,6-tetra(propan-2-yl)anthracene);1,2,7,8-tetra(propan-2-yl)anthracene?
The InChIKey is LVASDZNBOLDSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C26H34/c2*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/h3*9-18H,1-8H3.
What are the key properties of bis(1,2,5,6-tetra(propan-2-yl)anthracene);1,2,7,8-tetra(propan-2-yl)anthracene?
bis(1,2,5,6-tetra(propan-2-yl)anthracene);1,2,7,8-tetra(propan-2-yl)anthracene has a molecular weight of 1039.67 g/mol, XLogP of 25.46, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2,5,6-tetra(propan-2-yl)anthracene);1,2,7,8-tetra(propan-2-yl)anthracene is sourced from PubChem (CID 165025507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).