2-[5-[5-[5-[3-(dimethylamino)-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-diphenylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-5-(2-methoxy-6-propan-2-yloxyphenyl)-N,N-dimethylthiophen-3-amine

C60H62N2O4S5 — CID 123522758

IUPAC2-[5-[5-[5-[3-(dimethylamino)-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-diphenylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-5-(2-methoxy-6-propan-2-yloxyphenyl)-N,N-dimethylthiophen-3-amine
SMILESCOc1cccc(OC(C)C)c1-c1cc(N(C)C)c(-c2sc(-c3sc(-c4sc(-c5sc(-c6c(OC)cccc6OC(C)C)cc5N(C)C)c(C)c4C)c(-c4ccccc4)c3-c3ccccc3)c(C)c2C)s1
InChIInChI=1S/C60H62N2O4S5/c1-33(2)65-45-29-21-27-43(63-13)51(45)47-31-41(61(9)10)57(67-47)53-35(5)37(7)55(69-53)59-49(39-23-17-15-18-24-39)50(40-25-19-16-20-26-40)60(71-59)56-38(8)36(6)54(70-56)58-42(62(11)12)32-48(68-58)52-44(64-14)28-22-30-46(52)66-34(3)4/h15-34H,1-14H3
InChIKeyIXZAXMFWRKRRCQ-UHFFFAOYSA-N
MW1035.50 g/mol
LogP18.29
Rot. Bonds16

About 2-[5-[5-[5-[3-(dimethylamino)-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-diphenylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-5-(2-methoxy-6-propan-2-yloxyphenyl)-N,N-dimethylthiophen-3-amine

2-[5-[5-[5-[3-(dimethylamino)-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-diphenylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-5-(2-methoxy-6-propan-2-yloxyphenyl)-N,N-dimethylthiophen-3-amine (PubChem CID 123522758) has the molecular formula C60H62N2O4S5 and a molecular weight of 1035.50 g/mol. Its IUPAC name is 2-[5-[5-[5-[3-(dimethylamino)-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-diphenylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-5-(2-methoxy-6-propan-2-yloxyphenyl)-N,N-dimethylthiophen-3-amine.

Molecular Properties

Compound Name2-[5-[5-[5-[3-(dimethylamino)-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-diphenylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-5-(2-methoxy-6-propan-2-yloxyphenyl)-N,N-dimethylthiophen-3-amine
PubChem CID123522758
Molecular FormulaC60H62N2O4S5
Molecular Weight1035.50 g/mol
Exact Mass1034.33
IUPAC Name2-[5-[5-[5-[3-(dimethylamino)-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-diphenylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-5-(2-methoxy-6-propan-2-yloxyphenyl)-N,N-dimethylthiophen-3-amine
SMILESCOc1cccc(OC(C)C)c1-c1cc(N(C)C)c(-c2sc(-c3sc(-c4sc(-c5sc(-c6c(OC)cccc6OC(C)C)cc5N(C)C)c(C)c4C)c(-c4ccccc4)c3-c3ccccc3)c(C)c2C)s1
InChIInChI=1S/C60H62N2O4S5/c1-33(2)65-45-29-21-27-43(63-13)51(45)47-31-41(61(9)10)57(67-47)53-35(5)37(7)55(69-53)59-49(39-23-17-15-18-24-39)50(40-25-19-16-20-26-40)60(71-59)56-38(8)36(6)54(70-56)58-42(62(11)12)32-48(68-58)52-44(64-14)28-22-30-46(52)66-34(3)4/h15-34H,1-14H3
InChIKeyIXZAXMFWRKRRCQ-UHFFFAOYSA-N
XLogP18.29
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001035.50
LogP ≤ 518.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-[5-[5-[5-[3-(dimethylamino)-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-diphenylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-5-(2-methoxy-6-propan-2-yloxyphenyl)-N,N-dimethylthiophen-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-[5-[3-(dimethylamino)-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-diphenylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-5-(2-methoxy-6-propan-2-yloxyphenyl)-N,N-dimethylthiophen-3-amine?
The IUPAC name of 2-[5-[5-[5-[3-(dimethylamino)-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-diphenylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-5-(2-methoxy-6-propan-2-yloxyphenyl)-N,N-dimethylthiophen-3-amine (CID 123522758) is 2-[5-[5-[5-[3-(dimethylamino)-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-diphenylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-5-(2-methoxy-6-propan-2-yloxyphenyl)-N,N-dimethylthiophen-3-amine.
What is the SMILES notation for 2-[5-[5-[5-[3-(dimethylamino)-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-diphenylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-5-(2-methoxy-6-propan-2-yloxyphenyl)-N,N-dimethylthiophen-3-amine?
The canonical SMILES for 2-[5-[5-[5-[3-(dimethylamino)-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-diphenylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-5-(2-methoxy-6-propan-2-yloxyphenyl)-N,N-dimethylthiophen-3-amine is COc1cccc(OC(C)C)c1-c1cc(N(C)C)c(-c2sc(-c3sc(-c4sc(-c5sc(-c6c(OC)cccc6OC(C)C)cc5N(C)C)c(C)c4C)c(-c4ccccc4)c3-c3ccccc3)c(C)c2C)s1.
What is the InChIKey of 2-[5-[5-[5-[3-(dimethylamino)-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-diphenylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-5-(2-methoxy-6-propan-2-yloxyphenyl)-N,N-dimethylthiophen-3-amine?
The InChIKey is IXZAXMFWRKRRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H62N2O4S5/c1-33(2)65-45-29-21-27-43(63-13)51(45)47-31-41(61(9)10)57(67-47)53-35(5)37(7)55(69-53)59-49(39-23-17-15-18-24-39)50(40-25-19-16-20-26-40)60(71-59)56-38(8)36(6)54(70-56)58-42(62(11)12)32-48(68-58)52-44(64-14)28-22-30-46(52)66-34(3)4/h15-34H,1-14H3.
What are the key properties of 2-[5-[5-[5-[3-(dimethylamino)-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-diphenylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-5-(2-methoxy-6-propan-2-yloxyphenyl)-N,N-dimethylthiophen-3-amine?
2-[5-[5-[5-[3-(dimethylamino)-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-diphenylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-5-(2-methoxy-6-propan-2-yloxyphenyl)-N,N-dimethylthiophen-3-amine has a molecular weight of 1035.50 g/mol, XLogP of 18.29, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-[5-[3-(dimethylamino)-5-(2-methoxy-6-propan-2-yloxyphenyl)thiophen-2-yl]-3,4-dimethylthiophen-2-yl]-3,4-diphenylthiophen-2-yl]-3,4-dimethylthiophen-2-yl]-5-(2-methoxy-6-propan-2-yloxyphenyl)-N,N-dimethylthiophen-3-amine is sourced from PubChem (CID 123522758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).