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

C180H176N2O6S10 — CID 162128416

IUPAC1,4-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
SMILESCCCCCC1CCC(c2ccc(-c3ccc(Sc4ccc(Nc5ccc(C)cc5)c5c4C(=O)c4c(Nc6ccc(C)cc6)ccc(Sc6ccc(C)cc6)c4C5=O)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(Sc4ccc(Sc5ccc(C)cc5)c5c4C(=O)c4c(Sc6ccc(C(C)(C)C)cc6)ccc(Sc6ccc(C(C)(C)C)cc6)c4C5=O)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(Sc4ccc(Sc5ccc(C)cc5)c5c4C(=O)c4c(Sc6ccc(C)cc6)ccc(Sc6ccc(C)cc6)c4C5=O)cc3)cc2)CC1
InChIInChI=1S/C64H66O2S4.C58H56N2O2S2.C58H54O2S4/c1-9-10-11-12-42-15-17-43(18-16-42)44-19-21-45(22-20-44)46-23-31-50(32-24-46)68-54-38-37-53(67-49-29-13-41(2)14-30-49)57-58(54)62(66)60-56(70-52-35-27-48(28-36-52)64(6,7)8)40-39-55(59(60)61(57)65)69-51-33-25-47(26-34-51)63(3,4)5;1-5-6-7-8-40-15-17-41(18-16-40)42-19-21-43(22-20-42)44-23-31-48(32-24-44)64-52-36-34-50(60-46-27-11-38(3)12-28-46)54-56(52)58(62)53-49(59-45-25-9-37(2)10-26-45)33-35-51(55(53)57(54)61)63-47-29-13-39(4)14-30-47;1-5-6-7-8-40-15-17-41(18-16-40)42-19-21-43(22-20-42)44-23-31-48(32-24-44)64-52-36-35-51(63-47-29-13-39(4)14-30-47)55-56(52)58(60)54-50(62-46-27-11-38(3)12-28-46)34-33-49(53(54)57(55)59)61-45-25-9-37(2)10-26-45/h13-14,19-40,42-43H,9-12,15-18H2,1-8H3;9-14,19-36,40-41,59-60H,5-8,15-18H2,1-4H3;9-14,19-36,40-41H,5-8,15-18H2,1-4H3
InChIKeyZIIRFODLMIKXGS-UHFFFAOYSA-N
MW2784.07 g/mol
LogP53.70
Rot. Bonds42

About 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

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 (PubChem CID 162128416) has the molecular formula C180H176N2O6S10 and a molecular weight of 2784.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,4-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
PubChem CID162128416
Molecular FormulaC180H176N2O6S10
Molecular Weight2784.07 g/mol
Exact Mass2781.07
IUPAC Name1,4-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
SMILESCCCCCC1CCC(c2ccc(-c3ccc(Sc4ccc(Nc5ccc(C)cc5)c5c4C(=O)c4c(Nc6ccc(C)cc6)ccc(Sc6ccc(C)cc6)c4C5=O)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(Sc4ccc(Sc5ccc(C)cc5)c5c4C(=O)c4c(Sc6ccc(C(C)(C)C)cc6)ccc(Sc6ccc(C(C)(C)C)cc6)c4C5=O)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(Sc4ccc(Sc5ccc(C)cc5)c5c4C(=O)c4c(Sc6ccc(C)cc6)ccc(Sc6ccc(C)cc6)c4C5=O)cc3)cc2)CC1
InChIInChI=1S/C64H66O2S4.C58H56N2O2S2.C58H54O2S4/c1-9-10-11-12-42-15-17-43(18-16-42)44-19-21-45(22-20-44)46-23-31-50(32-24-46)68-54-38-37-53(67-49-29-13-41(2)14-30-49)57-58(54)62(66)60-56(70-52-35-27-48(28-36-52)64(6,7)8)40-39-55(59(60)61(57)65)69-51-33-25-47(26-34-51)63(3,4)5;1-5-6-7-8-40-15-17-41(18-16-40)42-19-21-43(22-20-42)44-23-31-48(32-24-44)64-52-36-34-50(60-46-27-11-38(3)12-28-46)54-56(52)58(62)53-49(59-45-25-9-37(2)10-26-45)33-35-51(55(53)57(54)61)63-47-29-13-39(4)14-30-47;1-5-6-7-8-40-15-17-41(18-16-40)42-19-21-43(22-20-42)44-23-31-48(32-24-44)64-52-36-35-51(63-47-29-13-39(4)14-30-47)55-56(52)58(60)54-50(62-46-27-11-38(3)12-28-46)34-33-49(53(54)57(55)59)61-45-25-9-37(2)10-26-45/h13-14,19-40,42-43H,9-12,15-18H2,1-8H3;9-14,19-36,40-41,59-60H,5-8,15-18H2,1-4H3;9-14,19-36,40-41H,5-8,15-18H2,1-4H3
InChIKeyZIIRFODLMIKXGS-UHFFFAOYSA-N
XLogP53.70
TPSA126.48 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds42
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002784.07
LogP ≤ 553.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

1,4-bis(4-tert-butylanilino)-5-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]sulfanylanthracene-9,10-dione
CID 59690980
1,4-dianilino-5,8-bis[[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]sulfanyl]anthracene-9,10-dione
CID 58960649
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
2-(4-tert-butylphenyl)sulfanyl-6-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]sulfanylanthracene-9,10-dione
CID 58612679
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
1-(4-tert-butylphenyl)sulfanyl-8-[4-[4-(4-pentylcyclohexyl)cyclohexa-1,5-dien-1-yl]phenyl]sulfanyl-4,5-bis(2,4,6-trimethylanilino)anthracene-9,10-dione
CID 89360533
1-(4-methylphenyl)sulfanyl-5-[4-[4-(4-propylcyclohexyl)phenyl]phenyl]sulfanylanthracene-9,10-dione
CID 142211743
1-(4-decylcyclohexyl)-4-(4-methylphenyl)benzene
CID 20539068
1-amino-5-anilino-8-[4-[4-(4-pentylcyclohexyl)phenyl]phenoxy]-4-propylsulfanylanthracene-9,10-dione
CID 59222153
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCC1CCC(c2ccc(-c3ccc(Sc4ccc(Nc5ccc(C)cc5)c5c4C(=O)c4c(Nc6ccc(C)cc6)ccc(Sc6ccc(C)cc6)c4C5=O)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(Sc4ccc(Sc5ccc(C)cc5)c5c4C(=O)c4c(Sc6ccc(C(C)(C)C)cc6)ccc(Sc6ccc(C(C)(C)C)cc6)c4C5=O)cc3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(Sc4ccc(Sc5ccc(C)cc5)c5c4C(=O)c4c(Sc6ccc(C)cc6)ccc(Sc6ccc(C)cc6)c4C5=O)cc3)cc2)CC1.
What is the InChIKey of 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?
The InChIKey is ZIIRFODLMIKXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H66O2S4.C58H56N2O2S2.C58H54O2S4/c1-9-10-11-12-42-15-17-43(18-16-42)44-19-21-45(22-20-44)46-23-31-50(32-24-46)68-54-38-37-53(67-49-29-13-41(2)14-30-49)57-58(54)62(66)60-56(70-52-35-27-48(28-36-52)64(6,7)8)40-39-55(59(60)61(57)65)69-51-33-25-47(26-34-51)63(3,4)5;1-5-6-7-8-40-15-17-41(18-16-40)42-19-21-43(22-20-42)44-23-31-48(32-24-44)64-52-36-34-50(60-46-27-11-38(3)12-28-46)54-56(52)58(62)53-49(59-45-25-9-37(2)10-26-45)33-35-51(55(53)57(54)61)63-47-29-13-39(4)14-30-47;1-5-6-7-8-40-15-17-41(18-16-40)42-19-21-43(22-20-42)44-23-31-48(32-24-44)64-52-36-35-51(63-47-29-13-39(4)14-30-47)55-56(52)58(60)54-50(62-46-27-11-38(3)12-28-46)34-33-49(53(54)57(55)59)61-45-25-9-37(2)10-26-45/h13-14,19-40,42-43H,9-12,15-18H2,1-8H3;9-14,19-36,40-41,59-60H,5-8,15-18H2,1-4H3;9-14,19-36,40-41H,5-8,15-18H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 2784.07 g/mol, XLogP of 53.70, 42 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162128416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).