1,2,3,4,5,6,8,9,10-nonamethyl-7-propan-2-ylanthracene

C26H34 — CID 159127146

IUPAC1,2,3,4,5,6,8,9,10-nonamethyl-7-propan-2-ylanthracene
SMILESCc1c(C)c(C)c2c(C)c3c(C)c(C(C)C)c(C)c(C)c3c(C)c2c1C
InChIInChI=1S/C26H34/c1-12(2)22-17(7)18(8)25-20(10)23-15(5)13(3)14(4)16(6)24(23)21(11)26(25)19(22)9/h12H,1-11H3
InChIKeyWRUZLQLNYQDTQT-UHFFFAOYSA-N
MW346.56 g/mol
LogP7.89
Rot. Bonds1

About 1,2,3,4,5,6,8,9,10-nonamethyl-7-propan-2-ylanthracene

1,2,3,4,5,6,8,9,10-nonamethyl-7-propan-2-ylanthracene (PubChem CID 159127146) has the molecular formula C26H34 and a molecular weight of 346.56 g/mol. Its IUPAC name is 1,2,3,4,5,6,8,9,10-nonamethyl-7-propan-2-ylanthracene.

Molecular Properties

Compound Name1,2,3,4,5,6,8,9,10-nonamethyl-7-propan-2-ylanthracene
PubChem CID159127146
Molecular FormulaC26H34
Molecular Weight346.56 g/mol
Exact Mass346.27
IUPAC Name1,2,3,4,5,6,8,9,10-nonamethyl-7-propan-2-ylanthracene
SMILESCc1c(C)c(C)c2c(C)c3c(C)c(C(C)C)c(C)c(C)c3c(C)c2c1C
InChIInChI=1S/C26H34/c1-12(2)22-17(7)18(8)25-20(10)23-15(5)13(3)14(4)16(6)24(23)21(11)26(25)19(22)9/h12H,1-11H3
InChIKeyWRUZLQLNYQDTQT-UHFFFAOYSA-N
XLogP7.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 57.89
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

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2,3,4,5,6,7-hexamethyl-8-propan-2-ylquinoline
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3,4,5,6,8-pentamethyl-7-propan-2-ylchromen-2-one
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1,2,3,4,5,7,8,9,10,12-decamethyl-6,11-bis(2,3,4,5,6-pentamethylphenyl)tetracene
CID 59816825
1,2,3,4,5,6,7-heptamethyl-8-(2-methyl-2-tritiopropyl)naphthalene
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2,3,5,6,7-pentamethyl-8-propan-2-ylquinoxaline
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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,8,9,10-nonamethyl-7-propan-2-ylanthracene?
The IUPAC name of 1,2,3,4,5,6,8,9,10-nonamethyl-7-propan-2-ylanthracene (CID 159127146) is 1,2,3,4,5,6,8,9,10-nonamethyl-7-propan-2-ylanthracene.
What is the SMILES notation for 1,2,3,4,5,6,8,9,10-nonamethyl-7-propan-2-ylanthracene?
The canonical SMILES for 1,2,3,4,5,6,8,9,10-nonamethyl-7-propan-2-ylanthracene is Cc1c(C)c(C)c2c(C)c3c(C)c(C(C)C)c(C)c(C)c3c(C)c2c1C.
What is the InChIKey of 1,2,3,4,5,6,8,9,10-nonamethyl-7-propan-2-ylanthracene?
The InChIKey is WRUZLQLNYQDTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34/c1-12(2)22-17(7)18(8)25-20(10)23-15(5)13(3)14(4)16(6)24(23)21(11)26(25)19(22)9/h12H,1-11H3.
What are the key properties of 1,2,3,4,5,6,8,9,10-nonamethyl-7-propan-2-ylanthracene?
1,2,3,4,5,6,8,9,10-nonamethyl-7-propan-2-ylanthracene has a molecular weight of 346.56 g/mol, XLogP of 7.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,8,9,10-nonamethyl-7-propan-2-ylanthracene is sourced from PubChem (CID 159127146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).