4,4,7-trimethyl-5-[[4-[(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methyl]phenyl]methyl]dithiolo[3,4-c]quinoline-1-thione

C34H32N2S6 — CID 5051992

IUPAC4,4,7-trimethyl-5-[[4-[(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methyl]phenyl]methyl]dithiolo[3,4-c]quinoline-1-thione
SMILESCc1ccc2c(c1)N(Cc1ccc(CN3c4cc(C)ccc4-c4c(ssc4=S)C3(C)C)cc1)C(C)(C)c1ssc(=S)c1-2
InChIInChI=1S/C34H32N2S6/c1-19-7-13-23-25(15-19)35(33(3,4)29-27(23)31(37)41-39-29)17-21-9-11-22(12-10-21)18-36-26-16-20(2)8-14-24(26)28-30(34(36,5)6)40-42-32(28)38/h7-16H,17-18H2,1-6H3
InChIKeyFKAUWQOBKSWHBL-UHFFFAOYSA-N
MW661.05 g/mol
LogP11.85
Rot. Bonds4

About 4,4,7-trimethyl-5-[[4-[(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methyl]phenyl]methyl]dithiolo[3,4-c]quinoline-1-thione

4,4,7-trimethyl-5-[[4-[(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methyl]phenyl]methyl]dithiolo[3,4-c]quinoline-1-thione (PubChem CID 5051992) has the molecular formula C34H32N2S6 and a molecular weight of 661.05 g/mol. Its IUPAC name is 4,4,7-trimethyl-5-[[4-[(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methyl]phenyl]methyl]dithiolo[3,4-c]quinoline-1-thione.

Molecular Properties

Compound Name4,4,7-trimethyl-5-[[4-[(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methyl]phenyl]methyl]dithiolo[3,4-c]quinoline-1-thione
PubChem CID5051992
Molecular FormulaC34H32N2S6
Molecular Weight661.05 g/mol
Exact Mass660.09
IUPAC Name4,4,7-trimethyl-5-[[4-[(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methyl]phenyl]methyl]dithiolo[3,4-c]quinoline-1-thione
SMILESCc1ccc2c(c1)N(Cc1ccc(CN3c4cc(C)ccc4-c4c(ssc4=S)C3(C)C)cc1)C(C)(C)c1ssc(=S)c1-2
InChIInChI=1S/C34H32N2S6/c1-19-7-13-23-25(15-19)35(33(3,4)29-27(23)31(37)41-39-29)17-21-9-11-22(12-10-21)18-36-26-16-20(2)8-14-24(26)28-30(34(36,5)6)40-42-32(28)38/h7-16H,17-18H2,1-6H3
InChIKeyFKAUWQOBKSWHBL-UHFFFAOYSA-N
XLogP11.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.05
LogP ≤ 511.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4,4,7-trimethyl-5-[[4-[(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methyl]phenyl]methyl]dithiolo[3,4-c]quinoline-1-thione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4,7-trimethyl-5-[[4-[(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methyl]phenyl]methyl]dithiolo[3,4-c]quinoline-1-thione?
The IUPAC name of 4,4,7-trimethyl-5-[[4-[(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methyl]phenyl]methyl]dithiolo[3,4-c]quinoline-1-thione (CID 5051992) is 4,4,7-trimethyl-5-[[4-[(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methyl]phenyl]methyl]dithiolo[3,4-c]quinoline-1-thione.
What is the SMILES notation for 4,4,7-trimethyl-5-[[4-[(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methyl]phenyl]methyl]dithiolo[3,4-c]quinoline-1-thione?
The canonical SMILES for 4,4,7-trimethyl-5-[[4-[(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methyl]phenyl]methyl]dithiolo[3,4-c]quinoline-1-thione is Cc1ccc2c(c1)N(Cc1ccc(CN3c4cc(C)ccc4-c4c(ssc4=S)C3(C)C)cc1)C(C)(C)c1ssc(=S)c1-2.
What is the InChIKey of 4,4,7-trimethyl-5-[[4-[(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methyl]phenyl]methyl]dithiolo[3,4-c]quinoline-1-thione?
The InChIKey is FKAUWQOBKSWHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2S6/c1-19-7-13-23-25(15-19)35(33(3,4)29-27(23)31(37)41-39-29)17-21-9-11-22(12-10-21)18-36-26-16-20(2)8-14-24(26)28-30(34(36,5)6)40-42-32(28)38/h7-16H,17-18H2,1-6H3.
What are the key properties of 4,4,7-trimethyl-5-[[4-[(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methyl]phenyl]methyl]dithiolo[3,4-c]quinoline-1-thione?
4,4,7-trimethyl-5-[[4-[(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methyl]phenyl]methyl]dithiolo[3,4-c]quinoline-1-thione has a molecular weight of 661.05 g/mol, XLogP of 11.85, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,7-trimethyl-5-[[4-[(4,4,7-trimethyl-1-sulfanylidenedithiolo[3,4-c]quinolin-5-yl)methyl]phenyl]methyl]dithiolo[3,4-c]quinoline-1-thione is sourced from PubChem (CID 5051992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).