N,N'-dimethyl-N,N'-bis[6-[5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl]hexane-1,6-diamine

C60H64N2S10 — CID 100937102

IUPACN,N'-dimethyl-N,N'-bis[6-[5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl]hexane-1,6-diamine
SMILESCN(CCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)s2)s1)CCCCCCN(C)CCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)s2)s1
InChIInChI=1S/C60H64N2S10/c1-61(37-11-5-3-9-17-43-21-23-49(65-43)51-29-31-57(69-51)59-35-33-55(71-59)53-27-25-47(67-53)45-19-15-41-63-45)39-13-7-8-14-40-62(2)38-12-6-4-10-18-44-22-24-50(66-44)52-30-32-58(70-52)60-36-34-56(72-60)54-28-26-48(68-54)46-20-16-42-64-46/h15-16,19-36,41-42H,3-14,17-18,37-40H2,1-2H3
InChIKeyINVCIEANURSGKW-UHFFFAOYSA-N
MW1133.86 g/mol
LogP21.97
Rot. Bonds29

About N,N'-dimethyl-N,N'-bis[6-[5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl]hexane-1,6-diamine

N,N'-dimethyl-N,N'-bis[6-[5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl]hexane-1,6-diamine (PubChem CID 100937102) has the molecular formula C60H64N2S10 and a molecular weight of 1133.86 g/mol. Its IUPAC name is N,N'-dimethyl-N,N'-bis[6-[5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl]hexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-dimethyl-N,N'-bis[6-[5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl]hexane-1,6-diamine
PubChem CID100937102
Molecular FormulaC60H64N2S10
Molecular Weight1133.86 g/mol
Exact Mass1132.23
IUPAC NameN,N'-dimethyl-N,N'-bis[6-[5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl]hexane-1,6-diamine
SMILESCN(CCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)s2)s1)CCCCCCN(C)CCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)s2)s1
InChIInChI=1S/C60H64N2S10/c1-61(37-11-5-3-9-17-43-21-23-49(65-43)51-29-31-57(69-51)59-35-33-55(71-59)53-27-25-47(67-53)45-19-15-41-63-45)39-13-7-8-14-40-62(2)38-12-6-4-10-18-44-22-24-50(66-44)52-30-32-58(70-52)60-36-34-56(72-60)54-28-26-48(68-54)46-20-16-42-64-46/h15-16,19-36,41-42H,3-14,17-18,37-40H2,1-2H3
InChIKeyINVCIEANURSGKW-UHFFFAOYSA-N
XLogP21.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds29
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001133.86
LogP ≤ 521.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze N,N'-dimethyl-N,N'-bis[6-[5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl]hexane-1,6-diamine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N,N'-bis[6-[5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl]hexane-1,6-diamine?
The IUPAC name of N,N'-dimethyl-N,N'-bis[6-[5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl]hexane-1,6-diamine (CID 100937102) is N,N'-dimethyl-N,N'-bis[6-[5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl]hexane-1,6-diamine.
What is the SMILES notation for N,N'-dimethyl-N,N'-bis[6-[5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl]hexane-1,6-diamine?
The canonical SMILES for N,N'-dimethyl-N,N'-bis[6-[5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl]hexane-1,6-diamine is CN(CCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)s2)s1)CCCCCCN(C)CCCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)s2)s1.
What is the InChIKey of N,N'-dimethyl-N,N'-bis[6-[5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl]hexane-1,6-diamine?
The InChIKey is INVCIEANURSGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H64N2S10/c1-61(37-11-5-3-9-17-43-21-23-49(65-43)51-29-31-57(69-51)59-35-33-55(71-59)53-27-25-47(67-53)45-19-15-41-63-45)39-13-7-8-14-40-62(2)38-12-6-4-10-18-44-22-24-50(66-44)52-30-32-58(70-52)60-36-34-56(72-60)54-28-26-48(68-54)46-20-16-42-64-46/h15-16,19-36,41-42H,3-14,17-18,37-40H2,1-2H3.
What are the key properties of N,N'-dimethyl-N,N'-bis[6-[5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl]hexane-1,6-diamine?
N,N'-dimethyl-N,N'-bis[6-[5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl]hexane-1,6-diamine has a molecular weight of 1133.86 g/mol, XLogP of 21.97, 29 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N,N'-bis[6-[5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]hexyl]hexane-1,6-diamine is sourced from PubChem (CID 100937102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).