5,6,7,8-tetraethyl-1-(5,6,7,8-tetraethyl-2-hydroxyanthracen-1-yl)anthracen-2-ol

C44H50O2 — CID 102103016

IUPAC5,6,7,8-tetraethyl-1-(5,6,7,8-tetraethyl-2-hydroxyanthracen-1-yl)anthracen-2-ol
SMILESCCc1c(CC)c(CC)c2cc3c(-c4c(O)ccc5cc6c(CC)c(CC)c(CC)c(CC)c6cc45)c(O)ccc3cc2c1CC
InChIInChI=1S/C44H50O2/c1-9-27-29(11-3)33(15-7)39-23-35-25(21-37(39)31(27)13-5)17-19-41(45)43(35)44-36-24-40-34(16-8)30(12-4)28(10-2)32(14-6)38(40)22-26(36)18-20-42(44)46/h17-24,45-46H,9-16H2,1-8H3
InChIKeyKHHIFRNUKWBUKG-UHFFFAOYSA-N
MW610.88 g/mol
LogP11.88
Rot. Bonds9

About 5,6,7,8-tetraethyl-1-(5,6,7,8-tetraethyl-2-hydroxyanthracen-1-yl)anthracen-2-ol

5,6,7,8-tetraethyl-1-(5,6,7,8-tetraethyl-2-hydroxyanthracen-1-yl)anthracen-2-ol (PubChem CID 102103016) has the molecular formula C44H50O2 and a molecular weight of 610.88 g/mol. Its IUPAC name is 5,6,7,8-tetraethyl-1-(5,6,7,8-tetraethyl-2-hydroxyanthracen-1-yl)anthracen-2-ol.

Molecular Properties

Compound Name5,6,7,8-tetraethyl-1-(5,6,7,8-tetraethyl-2-hydroxyanthracen-1-yl)anthracen-2-ol
PubChem CID102103016
Molecular FormulaC44H50O2
Molecular Weight610.88 g/mol
Exact Mass610.38
IUPAC Name5,6,7,8-tetraethyl-1-(5,6,7,8-tetraethyl-2-hydroxyanthracen-1-yl)anthracen-2-ol
SMILESCCc1c(CC)c(CC)c2cc3c(-c4c(O)ccc5cc6c(CC)c(CC)c(CC)c(CC)c6cc45)c(O)ccc3cc2c1CC
InChIInChI=1S/C44H50O2/c1-9-27-29(11-3)33(15-7)39-23-35-25(21-37(39)31(27)13-5)17-19-41(45)43(35)44-36-24-40-34(16-8)30(12-4)28(10-2)32(14-6)38(40)22-26(36)18-20-42(44)46/h17-24,45-46H,9-16H2,1-8H3
InChIKeyKHHIFRNUKWBUKG-UHFFFAOYSA-N
XLogP11.88
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.88
LogP ≤ 511.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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6-bromo-1-(6-bromo-7-ethoxy-2-hydroxynaphthalen-1-yl)-7-ethoxynaphthalen-2-ol
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CID 10992731
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1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol;methoxymethane
CID 20848816
1-(6-hydroxy-2,3,4-trimethylphenyl)-7-methylnaphthalen-2-ol
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1-(2,5-dihydroxyphenyl)naphthalene-2,7-diol
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CID 173487143
CID 173487143
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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetraethyl-1-(5,6,7,8-tetraethyl-2-hydroxyanthracen-1-yl)anthracen-2-ol?
The IUPAC name of 5,6,7,8-tetraethyl-1-(5,6,7,8-tetraethyl-2-hydroxyanthracen-1-yl)anthracen-2-ol (CID 102103016) is 5,6,7,8-tetraethyl-1-(5,6,7,8-tetraethyl-2-hydroxyanthracen-1-yl)anthracen-2-ol.
What is the SMILES notation for 5,6,7,8-tetraethyl-1-(5,6,7,8-tetraethyl-2-hydroxyanthracen-1-yl)anthracen-2-ol?
The canonical SMILES for 5,6,7,8-tetraethyl-1-(5,6,7,8-tetraethyl-2-hydroxyanthracen-1-yl)anthracen-2-ol is CCc1c(CC)c(CC)c2cc3c(-c4c(O)ccc5cc6c(CC)c(CC)c(CC)c(CC)c6cc45)c(O)ccc3cc2c1CC.
What is the InChIKey of 5,6,7,8-tetraethyl-1-(5,6,7,8-tetraethyl-2-hydroxyanthracen-1-yl)anthracen-2-ol?
The InChIKey is KHHIFRNUKWBUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H50O2/c1-9-27-29(11-3)33(15-7)39-23-35-25(21-37(39)31(27)13-5)17-19-41(45)43(35)44-36-24-40-34(16-8)30(12-4)28(10-2)32(14-6)38(40)22-26(36)18-20-42(44)46/h17-24,45-46H,9-16H2,1-8H3.
What are the key properties of 5,6,7,8-tetraethyl-1-(5,6,7,8-tetraethyl-2-hydroxyanthracen-1-yl)anthracen-2-ol?
5,6,7,8-tetraethyl-1-(5,6,7,8-tetraethyl-2-hydroxyanthracen-1-yl)anthracen-2-ol has a molecular weight of 610.88 g/mol, XLogP of 11.88, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetraethyl-1-(5,6,7,8-tetraethyl-2-hydroxyanthracen-1-yl)anthracen-2-ol is sourced from PubChem (CID 102103016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).