ethane;9-[(4E,6Z,10E,12Z)-3,8,9,14-tetramethyl-11-phenylheptadeca-4,6,10,12-tetraen-5-yl]-10-[(3Z,5E,7E,9E,11E,13E)-3,8,9,14-tetramethyl-11-phenylhexadeca-3,5,7,9,11,13-hexaen-5-yl]anthracene

C71H92 — CID 143516191

IUPACethane;9-[(4E,6Z,10E,12Z)-3,8,9,14-tetramethyl-11-phenylheptadeca-4,6,10,12-tetraen-5-yl]-10-[(3Z,5E,7E,9E,11E,13E)-3,8,9,14-tetramethyl-11-phenylhexadeca-3,5,7,9,11,13-hexaen-5-yl]anthracene
SMILESCC.CC.CCCC(C)/C=C\C(=C/C(C)C(C)/C=C\C(=C/C(C)CC)c1c2ccccc2c(C(/C=C(/C)CC)=C/C=C(C)/C(C)=C/C(=C\C=C(/C)CC)c2ccccc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C67H80.2C2H6/c1-13-27-51(8)37-41-59(57-30-21-18-22-31-57)47-55(12)53(10)39-43-61(45-50(7)16-4)67-64-34-25-23-32-62(64)66(63-33-24-26-35-65(63)67)60(44-49(6)15-3)42-38-52(9)54(11)46-58(40-36-48(5)14-2)56-28-19-17-20-29-56;2*1-2/h17-26,28-47,50-51,53,55H,13-16,27H2,1-12H3;2*1-2H3/b41-37-,43-39-,48-36+,49-44-,52-38+,54-46+,58-40+,59-47+,60-42+,61-45+;;
InChIKeyGLDLNDNPJVACJK-GZIZLVLNSA-N
MW945.52 g/mol
LogP22.45
Rot. Bonds21

About ethane;9-[(4E,6Z,10E,12Z)-3,8,9,14-tetramethyl-11-phenylheptadeca-4,6,10,12-tetraen-5-yl]-10-[(3Z,5E,7E,9E,11E,13E)-3,8,9,14-tetramethyl-11-phenylhexadeca-3,5,7,9,11,13-hexaen-5-yl]anthracene

ethane;9-[(4E,6Z,10E,12Z)-3,8,9,14-tetramethyl-11-phenylheptadeca-4,6,10,12-tetraen-5-yl]-10-[(3Z,5E,7E,9E,11E,13E)-3,8,9,14-tetramethyl-11-phenylhexadeca-3,5,7,9,11,13-hexaen-5-yl]anthracene (PubChem CID 143516191) has the molecular formula C71H92 and a molecular weight of 945.52 g/mol. Its IUPAC name is ethane;9-[(4E,6Z,10E,12Z)-3,8,9,14-tetramethyl-11-phenylheptadeca-4,6,10,12-tetraen-5-yl]-10-[(3Z,5E,7E,9E,11E,13E)-3,8,9,14-tetramethyl-11-phenylhexadeca-3,5,7,9,11,13-hexaen-5-yl]anthracene.

Molecular Properties

Compound Nameethane;9-[(4E,6Z,10E,12Z)-3,8,9,14-tetramethyl-11-phenylheptadeca-4,6,10,12-tetraen-5-yl]-10-[(3Z,5E,7E,9E,11E,13E)-3,8,9,14-tetramethyl-11-phenylhexadeca-3,5,7,9,11,13-hexaen-5-yl]anthracene
PubChem CID143516191
Molecular FormulaC71H92
Molecular Weight945.52 g/mol
Exact Mass944.72
IUPAC Nameethane;9-[(4E,6Z,10E,12Z)-3,8,9,14-tetramethyl-11-phenylheptadeca-4,6,10,12-tetraen-5-yl]-10-[(3Z,5E,7E,9E,11E,13E)-3,8,9,14-tetramethyl-11-phenylhexadeca-3,5,7,9,11,13-hexaen-5-yl]anthracene
SMILESCC.CC.CCCC(C)/C=C\C(=C/C(C)C(C)/C=C\C(=C/C(C)CC)c1c2ccccc2c(C(/C=C(/C)CC)=C/C=C(C)/C(C)=C/C(=C\C=C(/C)CC)c2ccccc2)c2ccccc12)c1ccccc1
InChIInChI=1S/C67H80.2C2H6/c1-13-27-51(8)37-41-59(57-30-21-18-22-31-57)47-55(12)53(10)39-43-61(45-50(7)16-4)67-64-34-25-23-32-62(64)66(63-33-24-26-35-65(63)67)60(44-49(6)15-3)42-38-52(9)54(11)46-58(40-36-48(5)14-2)56-28-19-17-20-29-56;2*1-2/h17-26,28-47,50-51,53,55H,13-16,27H2,1-12H3;2*1-2H3/b41-37-,43-39-,48-36+,49-44-,52-38+,54-46+,58-40+,59-47+,60-42+,61-45+;;
InChIKeyGLDLNDNPJVACJK-GZIZLVLNSA-N
XLogP22.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500945.52
LogP ≤ 522.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;9-[(4E,6Z,10E,12Z)-3,8,9,14-tetramethyl-11-phenylheptadeca-4,6,10,12-tetraen-5-yl]-10-[(3Z,5E,7E,9E,11E,13E)-3,8,9,14-tetramethyl-11-phenylhexadeca-3,5,7,9,11,13-hexaen-5-yl]anthracene 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

[(3Z)-5-methyl-1-phenylhepta-1,3-dien-3-yl]benzene
CID 59892266
[(3Z,5E)-7-methyl-5-phenylnona-1,3,5-trien-2-yl]boronic acid
CID 145266644
4-methylhex-2-en-2-ylbenzene
CID 76543432
(E,4R)-4-methyl-1-phenylnon-2-en-1-one
CID 102273779
(E)-3,5-dimethyloct-3-ene
CID 169006712
1-[(2Z,4E,6E)-7-methylnona-2,4,6-trien-5-yl]-3-propan-2-ylbenzene
CID 168937681
2-methylpentanal;phenol
CID 174274492
(1Z,3Z)-5-methyl-1-phenylhepta-1,3-dien-1-amine
CID 144815854
(2E,4Z)-6-methylnona-2,4-dien-2-ol
CID 142891903
ethane;[(E)-4-methylhex-2-en-3-yl]benzene
CID 167452677
[(E)-2-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-1-enyl] propanoate
CID 162414035
(3Z,5Z)-5-phenylocta-3,5,7-trien-3-ol
CID 142021955

Frequently Asked Questions

What is the IUPAC name of ethane;9-[(4E,6Z,10E,12Z)-3,8,9,14-tetramethyl-11-phenylheptadeca-4,6,10,12-tetraen-5-yl]-10-[(3Z,5E,7E,9E,11E,13E)-3,8,9,14-tetramethyl-11-phenylhexadeca-3,5,7,9,11,13-hexaen-5-yl]anthracene?
The IUPAC name of ethane;9-[(4E,6Z,10E,12Z)-3,8,9,14-tetramethyl-11-phenylheptadeca-4,6,10,12-tetraen-5-yl]-10-[(3Z,5E,7E,9E,11E,13E)-3,8,9,14-tetramethyl-11-phenylhexadeca-3,5,7,9,11,13-hexaen-5-yl]anthracene (CID 143516191) is ethane;9-[(4E,6Z,10E,12Z)-3,8,9,14-tetramethyl-11-phenylheptadeca-4,6,10,12-tetraen-5-yl]-10-[(3Z,5E,7E,9E,11E,13E)-3,8,9,14-tetramethyl-11-phenylhexadeca-3,5,7,9,11,13-hexaen-5-yl]anthracene.
What is the SMILES notation for ethane;9-[(4E,6Z,10E,12Z)-3,8,9,14-tetramethyl-11-phenylheptadeca-4,6,10,12-tetraen-5-yl]-10-[(3Z,5E,7E,9E,11E,13E)-3,8,9,14-tetramethyl-11-phenylhexadeca-3,5,7,9,11,13-hexaen-5-yl]anthracene?
The canonical SMILES for ethane;9-[(4E,6Z,10E,12Z)-3,8,9,14-tetramethyl-11-phenylheptadeca-4,6,10,12-tetraen-5-yl]-10-[(3Z,5E,7E,9E,11E,13E)-3,8,9,14-tetramethyl-11-phenylhexadeca-3,5,7,9,11,13-hexaen-5-yl]anthracene is CC.CC.CCCC(C)/C=C\C(=C/C(C)C(C)/C=C\C(=C/C(C)CC)c1c2ccccc2c(C(/C=C(/C)CC)=C/C=C(C)/C(C)=C/C(=C\C=C(/C)CC)c2ccccc2)c2ccccc12)c1ccccc1.
What is the InChIKey of ethane;9-[(4E,6Z,10E,12Z)-3,8,9,14-tetramethyl-11-phenylheptadeca-4,6,10,12-tetraen-5-yl]-10-[(3Z,5E,7E,9E,11E,13E)-3,8,9,14-tetramethyl-11-phenylhexadeca-3,5,7,9,11,13-hexaen-5-yl]anthracene?
The InChIKey is GLDLNDNPJVACJK-GZIZLVLNSA-N. The full InChI is InChI=1S/C67H80.2C2H6/c1-13-27-51(8)37-41-59(57-30-21-18-22-31-57)47-55(12)53(10)39-43-61(45-50(7)16-4)67-64-34-25-23-32-62(64)66(63-33-24-26-35-65(63)67)60(44-49(6)15-3)42-38-52(9)54(11)46-58(40-36-48(5)14-2)56-28-19-17-20-29-56;2*1-2/h17-26,28-47,50-51,53,55H,13-16,27H2,1-12H3;2*1-2H3/b41-37-,43-39-,48-36+,49-44-,52-38+,54-46+,58-40+,59-47+,60-42+,61-45+;;.
What are the key properties of ethane;9-[(4E,6Z,10E,12Z)-3,8,9,14-tetramethyl-11-phenylheptadeca-4,6,10,12-tetraen-5-yl]-10-[(3Z,5E,7E,9E,11E,13E)-3,8,9,14-tetramethyl-11-phenylhexadeca-3,5,7,9,11,13-hexaen-5-yl]anthracene?
ethane;9-[(4E,6Z,10E,12Z)-3,8,9,14-tetramethyl-11-phenylheptadeca-4,6,10,12-tetraen-5-yl]-10-[(3Z,5E,7E,9E,11E,13E)-3,8,9,14-tetramethyl-11-phenylhexadeca-3,5,7,9,11,13-hexaen-5-yl]anthracene has a molecular weight of 945.52 g/mol, XLogP of 22.45, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-[(4E,6Z,10E,12Z)-3,8,9,14-tetramethyl-11-phenylheptadeca-4,6,10,12-tetraen-5-yl]-10-[(3Z,5E,7E,9E,11E,13E)-3,8,9,14-tetramethyl-11-phenylhexadeca-3,5,7,9,11,13-hexaen-5-yl]anthracene is sourced from PubChem (CID 143516191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).