N-ethyl-N-methyl-4-[2,3,4,5,6-pentakis[4-[ethyl(methyl)amino]phenyl]phenyl]aniline

C60H72N6 — CID 101400196

IUPACN-ethyl-N-methyl-4-[2,3,4,5,6-pentakis[4-[ethyl(methyl)amino]phenyl]phenyl]aniline
SMILESCCN(C)c1ccc(-c2c(-c3ccc(N(C)CC)cc3)c(-c3ccc(N(C)CC)cc3)c(-c3ccc(N(C)CC)cc3)c(-c3ccc(N(C)CC)cc3)c2-c2ccc(N(C)CC)cc2)cc1
InChIInChI=1S/C60H72N6/c1-13-61(7)49-31-19-43(20-32-49)55-56(44-21-33-50(34-22-44)62(8)14-2)58(46-25-37-52(38-26-46)64(10)16-4)60(48-29-41-54(42-30-48)66(12)18-6)59(47-27-39-53(40-28-47)65(11)17-5)57(55)45-23-35-51(36-24-45)63(9)15-3/h19-42H,13-18H2,1-12H3
InChIKeyRQYTXGZXSZIAPR-UHFFFAOYSA-N
MW877.28 g/mol
LogP14.43
Rot. Bonds18

About N-ethyl-N-methyl-4-[2,3,4,5,6-pentakis[4-[ethyl(methyl)amino]phenyl]phenyl]aniline

N-ethyl-N-methyl-4-[2,3,4,5,6-pentakis[4-[ethyl(methyl)amino]phenyl]phenyl]aniline (PubChem CID 101400196) has the molecular formula C60H72N6 and a molecular weight of 877.28 g/mol. Its IUPAC name is N-ethyl-N-methyl-4-[2,3,4,5,6-pentakis[4-[ethyl(methyl)amino]phenyl]phenyl]aniline.

Molecular Properties

Compound NameN-ethyl-N-methyl-4-[2,3,4,5,6-pentakis[4-[ethyl(methyl)amino]phenyl]phenyl]aniline
PubChem CID101400196
Molecular FormulaC60H72N6
Molecular Weight877.28 g/mol
Exact Mass876.58
IUPAC NameN-ethyl-N-methyl-4-[2,3,4,5,6-pentakis[4-[ethyl(methyl)amino]phenyl]phenyl]aniline
SMILESCCN(C)c1ccc(-c2c(-c3ccc(N(C)CC)cc3)c(-c3ccc(N(C)CC)cc3)c(-c3ccc(N(C)CC)cc3)c(-c3ccc(N(C)CC)cc3)c2-c2ccc(N(C)CC)cc2)cc1
InChIInChI=1S/C60H72N6/c1-13-61(7)49-31-19-43(20-32-49)55-56(44-21-33-50(34-22-44)62(8)14-2)58(46-25-37-52(38-26-46)64(10)16-4)60(48-29-41-54(42-30-48)66(12)18-6)59(47-27-39-53(40-28-47)65(11)17-5)57(55)45-23-35-51(36-24-45)63(9)15-3/h19-42H,13-18H2,1-12H3
InChIKeyRQYTXGZXSZIAPR-UHFFFAOYSA-N
XLogP14.43
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.28
LogP ≤ 514.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-4-[2,3,4,5,6-pentakis[4-[ethyl(methyl)amino]phenyl]phenyl]aniline?
The IUPAC name of N-ethyl-N-methyl-4-[2,3,4,5,6-pentakis[4-[ethyl(methyl)amino]phenyl]phenyl]aniline (CID 101400196) is N-ethyl-N-methyl-4-[2,3,4,5,6-pentakis[4-[ethyl(methyl)amino]phenyl]phenyl]aniline.
What is the SMILES notation for N-ethyl-N-methyl-4-[2,3,4,5,6-pentakis[4-[ethyl(methyl)amino]phenyl]phenyl]aniline?
The canonical SMILES for N-ethyl-N-methyl-4-[2,3,4,5,6-pentakis[4-[ethyl(methyl)amino]phenyl]phenyl]aniline is CCN(C)c1ccc(-c2c(-c3ccc(N(C)CC)cc3)c(-c3ccc(N(C)CC)cc3)c(-c3ccc(N(C)CC)cc3)c(-c3ccc(N(C)CC)cc3)c2-c2ccc(N(C)CC)cc2)cc1.
What is the InChIKey of N-ethyl-N-methyl-4-[2,3,4,5,6-pentakis[4-[ethyl(methyl)amino]phenyl]phenyl]aniline?
The InChIKey is RQYTXGZXSZIAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H72N6/c1-13-61(7)49-31-19-43(20-32-49)55-56(44-21-33-50(34-22-44)62(8)14-2)58(46-25-37-52(38-26-46)64(10)16-4)60(48-29-41-54(42-30-48)66(12)18-6)59(47-27-39-53(40-28-47)65(11)17-5)57(55)45-23-35-51(36-24-45)63(9)15-3/h19-42H,13-18H2,1-12H3.
What are the key properties of N-ethyl-N-methyl-4-[2,3,4,5,6-pentakis[4-[ethyl(methyl)amino]phenyl]phenyl]aniline?
N-ethyl-N-methyl-4-[2,3,4,5,6-pentakis[4-[ethyl(methyl)amino]phenyl]phenyl]aniline has a molecular weight of 877.28 g/mol, XLogP of 14.43, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-4-[2,3,4,5,6-pentakis[4-[ethyl(methyl)amino]phenyl]phenyl]aniline is sourced from PubChem (CID 101400196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).