2-cyclohexyl-9,10-di(nonoxy)anthracene

C38H56O2 — CID 143598895

IUPAC2-cyclohexyl-9,10-di(nonoxy)anthracene
SMILESCCCCCCCCCOc1c2ccccc2c(OCCCCCCCCC)c2cc(C3CCCCC3)ccc12
InChIInChI=1S/C38H56O2/c1-3-5-7-9-11-13-20-28-39-37-33-24-18-19-25-34(33)38(40-29-21-14-12-10-8-6-4-2)36-30-32(26-27-35(36)37)31-22-16-15-17-23-31/h18-19,24-27,30-31H,3-17,20-23,28-29H2,1-2H3
InChIKeyTYCBQLIEROPANV-UHFFFAOYSA-N
MW544.86 g/mol
LogP12.30
Rot. Bonds19

About 2-cyclohexyl-9,10-di(nonoxy)anthracene

2-cyclohexyl-9,10-di(nonoxy)anthracene (PubChem CID 143598895) has the molecular formula C38H56O2 and a molecular weight of 544.86 g/mol. Its IUPAC name is 2-cyclohexyl-9,10-di(nonoxy)anthracene.

Molecular Properties

Compound Name2-cyclohexyl-9,10-di(nonoxy)anthracene
PubChem CID143598895
Molecular FormulaC38H56O2
Molecular Weight544.86 g/mol
Exact Mass544.43
IUPAC Name2-cyclohexyl-9,10-di(nonoxy)anthracene
SMILESCCCCCCCCCOc1c2ccccc2c(OCCCCCCCCC)c2cc(C3CCCCC3)ccc12
InChIInChI=1S/C38H56O2/c1-3-5-7-9-11-13-20-28-39-37-33-24-18-19-25-34(33)38(40-29-21-14-12-10-8-6-4-2)36-30-32(26-27-35(36)37)31-22-16-15-17-23-31/h18-19,24-27,30-31H,3-17,20-23,28-29H2,1-2H3
InChIKeyTYCBQLIEROPANV-UHFFFAOYSA-N
XLogP12.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.86
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9,10-dioctoxyanthracene
CID 21304201
1-cyclohexyl-4-heptoxybenzene
CID 56628106
9,10-dihexadecoxy-2-methylanthracene
CID 139930329
2,3-dimethyl-9,10-di(nonoxy)anthracene
CID 175900449
2-chloro-9,10-di(tetradecoxy)anthracene
CID 139930208
2-ethyl-9,10-di(nonoxy)anthracene
CID 139930282
2-chloro-9,10-dioctoxyanthracene
CID 135239618
2-chloro-9,10-diheptoxyanthracene
CID 135239688
2-chloro-9,10-di(pentadecoxy)anthracene
CID 139930219
9,10-dibutoxyanthracene;9,10-dipentoxyanthracene
CID 159695719
2-tert-butyl-9,10-dioctoxyanthracene
CID 139930300
2-tert-butyl-9,10-di(heptadecoxy)anthracene
CID 139930060

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-9,10-di(nonoxy)anthracene?
The IUPAC name of 2-cyclohexyl-9,10-di(nonoxy)anthracene (CID 143598895) is 2-cyclohexyl-9,10-di(nonoxy)anthracene.
What is the SMILES notation for 2-cyclohexyl-9,10-di(nonoxy)anthracene?
The canonical SMILES for 2-cyclohexyl-9,10-di(nonoxy)anthracene is CCCCCCCCCOc1c2ccccc2c(OCCCCCCCCC)c2cc(C3CCCCC3)ccc12.
What is the InChIKey of 2-cyclohexyl-9,10-di(nonoxy)anthracene?
The InChIKey is TYCBQLIEROPANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H56O2/c1-3-5-7-9-11-13-20-28-39-37-33-24-18-19-25-34(33)38(40-29-21-14-12-10-8-6-4-2)36-30-32(26-27-35(36)37)31-22-16-15-17-23-31/h18-19,24-27,30-31H,3-17,20-23,28-29H2,1-2H3.
What are the key properties of 2-cyclohexyl-9,10-di(nonoxy)anthracene?
2-cyclohexyl-9,10-di(nonoxy)anthracene has a molecular weight of 544.86 g/mol, XLogP of 12.30, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-9,10-di(nonoxy)anthracene is sourced from PubChem (CID 143598895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).