1-[4-[4-(4-ethylcyclohexyl)phenyl]phenyl]sulfanyl-4-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]sulfanyl-5,8-bis[(4-methylphenyl)sulfanyl]anthracene-9,10-dione

C67H62O2S4 — CID 142211755

IUPAC1-[4-[4-(4-ethylcyclohexyl)phenyl]phenyl]sulfanyl-4-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]sulfanyl-5,8-bis[(4-methylphenyl)sulfanyl]anthracene-9,10-dione
SMILESCCC1CCC(c2ccc(-c3ccc(Sc4ccc(Sc5ccc(-c6ccc(C7CCC(C)CC7)cc6)cc5)c5c4C(=O)c4c(Sc6ccc(C)cc6)ccc(Sc6ccc(C)cc6)c4C5=O)cc3)cc2)CC1
InChIInChI=1S/C67H62O2S4/c1-5-45-12-16-47(17-13-45)49-20-24-51(25-21-49)53-28-36-57(37-29-53)73-61-41-40-60(72-56-34-26-52(27-35-56)50-22-18-48(19-23-50)46-14-6-42(2)7-15-46)64-65(61)67(69)63-59(71-55-32-10-44(4)11-33-55)39-38-58(62(63)66(64)68)70-54-30-8-43(3)9-31-54/h8-11,18-42,45-47H,5-7,12-17H2,1-4H3
InChIKeyQFEPUNFXJKSXIA-UHFFFAOYSA-N
MW1027.50 g/mol
LogP20.00
Rot. Bonds13

About 1-[4-[4-(4-ethylcyclohexyl)phenyl]phenyl]sulfanyl-4-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]sulfanyl-5,8-bis[(4-methylphenyl)sulfanyl]anthracene-9,10-dione

1-[4-[4-(4-ethylcyclohexyl)phenyl]phenyl]sulfanyl-4-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]sulfanyl-5,8-bis[(4-methylphenyl)sulfanyl]anthracene-9,10-dione (PubChem CID 142211755) has the molecular formula C67H62O2S4 and a molecular weight of 1027.50 g/mol. Its IUPAC name is 1-[4-[4-(4-ethylcyclohexyl)phenyl]phenyl]sulfanyl-4-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]sulfanyl-5,8-bis[(4-methylphenyl)sulfanyl]anthracene-9,10-dione.

Molecular Properties

Compound Name1-[4-[4-(4-ethylcyclohexyl)phenyl]phenyl]sulfanyl-4-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]sulfanyl-5,8-bis[(4-methylphenyl)sulfanyl]anthracene-9,10-dione
PubChem CID142211755
Molecular FormulaC67H62O2S4
Molecular Weight1027.50 g/mol
Exact Mass1026.36
IUPAC Name1-[4-[4-(4-ethylcyclohexyl)phenyl]phenyl]sulfanyl-4-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]sulfanyl-5,8-bis[(4-methylphenyl)sulfanyl]anthracene-9,10-dione
SMILESCCC1CCC(c2ccc(-c3ccc(Sc4ccc(Sc5ccc(-c6ccc(C7CCC(C)CC7)cc6)cc5)c5c4C(=O)c4c(Sc6ccc(C)cc6)ccc(Sc6ccc(C)cc6)c4C5=O)cc3)cc2)CC1
InChIInChI=1S/C67H62O2S4/c1-5-45-12-16-47(17-13-45)49-20-24-51(25-21-49)53-28-36-57(37-29-53)73-61-41-40-60(72-56-34-26-52(27-35-56)50-22-18-48(19-23-50)46-14-6-42(2)7-15-46)64-65(61)67(69)63-59(71-55-32-10-44(4)11-33-55)39-38-58(62(63)66(64)68)70-54-30-8-43(3)9-31-54/h8-11,18-42,45-47H,5-7,12-17H2,1-4H3
InChIKeyQFEPUNFXJKSXIA-UHFFFAOYSA-N
XLogP20.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001027.50
LogP ≤ 520.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 1-[4-[4-(4-ethylcyclohexyl)phenyl]phenyl]sulfanyl-4-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]sulfanyl-5,8-bis[(4-methylphenyl)sulfanyl]anthracene-9,10-dione 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

1-(4-methylphenyl)sulfanyl-5-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]sulfanylanthracene-9,10-dione
CID 142211743
1,4-bis[(4-tert-butylphenyl)sulfanyl]-5-(4-methylphenyl)sulfanyl-8-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]sulfanylanthracene-9,10-dione;1,5-bis(4-methylanilino)-4-(4-methylphenyl)sulfanyl-8-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]sulfanylanthracene-9,10-dione;1,4,5-tris[(4-methylphenyl)sulfanyl]-8-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]sulfanylanthracene-9,10-dione
CID 162128416
1,4-dianilino-5,8-bis[[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]sulfanyl]anthracene-9,10-dione
CID 58960649
1-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]sulfanyl-5-[4-(sulfanylmethyl)phenyl]sulfanylanthracene-9,10-dione
CID 143482080
4-(4-hexylphenyl)sulfanyl-5-(4-methylcyclohexa-1,3-dien-1-yl)sulfanyl-1-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]sulfanylanthracene-9,10-dione
CID 142211797
1,4-bis[[4-[3,5-dimethyl-4-[(4-pentylcyclohexyl)methoxy]phenyl]phenyl]sulfanyl]-5,8-bis[4-(4-pentylcyclohexyl)anilino]anthracene-9,10-dione
CID 59342766
bis(1-methyl-4-(4-methylcyclohexyl)benzene);hexakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-(4-methylphenyl)benzene)
CID 157498601
1-methyl-4-[2-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]ethynyl]benzene
CID 20683446
1,4-bis(4-tert-butylanilino)-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]sulfanylanthracene-9,10-dione
CID 59690980
1-(4-butylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 20538184
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
tris(1-(4-butylcyclohexyl)-4-methylbenzene);tetrakis(1-(4-ethylcyclohexyl)-4-methylbenzene);tetrakis(1-methyl-4-(4-propylcyclohexyl)benzene)
CID 158284409

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-ethylcyclohexyl)phenyl]phenyl]sulfanyl-4-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]sulfanyl-5,8-bis[(4-methylphenyl)sulfanyl]anthracene-9,10-dione?
The IUPAC name of 1-[4-[4-(4-ethylcyclohexyl)phenyl]phenyl]sulfanyl-4-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]sulfanyl-5,8-bis[(4-methylphenyl)sulfanyl]anthracene-9,10-dione (CID 142211755) is 1-[4-[4-(4-ethylcyclohexyl)phenyl]phenyl]sulfanyl-4-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]sulfanyl-5,8-bis[(4-methylphenyl)sulfanyl]anthracene-9,10-dione.
What is the SMILES notation for 1-[4-[4-(4-ethylcyclohexyl)phenyl]phenyl]sulfanyl-4-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]sulfanyl-5,8-bis[(4-methylphenyl)sulfanyl]anthracene-9,10-dione?
The canonical SMILES for 1-[4-[4-(4-ethylcyclohexyl)phenyl]phenyl]sulfanyl-4-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]sulfanyl-5,8-bis[(4-methylphenyl)sulfanyl]anthracene-9,10-dione is CCC1CCC(c2ccc(-c3ccc(Sc4ccc(Sc5ccc(-c6ccc(C7CCC(C)CC7)cc6)cc5)c5c4C(=O)c4c(Sc6ccc(C)cc6)ccc(Sc6ccc(C)cc6)c4C5=O)cc3)cc2)CC1.
What is the InChIKey of 1-[4-[4-(4-ethylcyclohexyl)phenyl]phenyl]sulfanyl-4-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]sulfanyl-5,8-bis[(4-methylphenyl)sulfanyl]anthracene-9,10-dione?
The InChIKey is QFEPUNFXJKSXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H62O2S4/c1-5-45-12-16-47(17-13-45)49-20-24-51(25-21-49)53-28-36-57(37-29-53)73-61-41-40-60(72-56-34-26-52(27-35-56)50-22-18-48(19-23-50)46-14-6-42(2)7-15-46)64-65(61)67(69)63-59(71-55-32-10-44(4)11-33-55)39-38-58(62(63)66(64)68)70-54-30-8-43(3)9-31-54/h8-11,18-42,45-47H,5-7,12-17H2,1-4H3.
What are the key properties of 1-[4-[4-(4-ethylcyclohexyl)phenyl]phenyl]sulfanyl-4-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]sulfanyl-5,8-bis[(4-methylphenyl)sulfanyl]anthracene-9,10-dione?
1-[4-[4-(4-ethylcyclohexyl)phenyl]phenyl]sulfanyl-4-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]sulfanyl-5,8-bis[(4-methylphenyl)sulfanyl]anthracene-9,10-dione has a molecular weight of 1027.50 g/mol, XLogP of 20.00, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-ethylcyclohexyl)phenyl]phenyl]sulfanyl-4-[4-[4-(4-methylcyclohexyl)phenyl]phenyl]sulfanyl-5,8-bis[(4-methylphenyl)sulfanyl]anthracene-9,10-dione is sourced from PubChem (CID 142211755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).