N-[4-[[4-(diethylamino)phenyl]-bis[4-(N-[4-(4-ethoxyphenyl)phenyl]-4-methylanilino)phenyl]methyl]phenyl]-N-[4-(4-ethoxyphenyl)phenyl]-4-methylaniline

C92H86N4O3 — CID 20761227

IUPACN-[4-[[4-(diethylamino)phenyl]-bis[4-(N-[4-(4-ethoxyphenyl)phenyl]-4-methylanilino)phenyl]methyl]phenyl]-N-[4-(4-ethoxyphenyl)phenyl]-4-methylaniline
SMILESCCOc1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C(c4ccc(N(CC)CC)cc4)(c4ccc(N(c5ccc(C)cc5)c5ccc(-c6ccc(OCC)cc6)cc5)cc4)c4ccc(N(c5ccc(C)cc5)c5ccc(-c6ccc(OCC)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C92H86N4O3/c1-9-93(10-2)79-52-32-75(33-53-79)92(76-34-54-86(55-35-76)94(80-40-14-66(6)15-41-80)83-46-20-69(21-47-83)72-26-60-89(61-27-72)97-11-3,77-36-56-87(57-37-77)95(81-42-16-67(7)17-43-81)84-48-22-70(23-49-84)73-28-62-90(63-29-73)98-12-4)78-38-58-88(59-39-78)96(82-44-18-68(8)19-45-82)85-50-24-71(25-51-85)74-30-64-91(65-31-74)99-13-5/h14-65H,9-13H2,1-8H3
InChIKeyURSFZPRMLQOMCE-UHFFFAOYSA-N
MW1295.72 g/mol
LogP24.45
Rot. Bonds25

About N-[4-[[4-(diethylamino)phenyl]-bis[4-(N-[4-(4-ethoxyphenyl)phenyl]-4-methylanilino)phenyl]methyl]phenyl]-N-[4-(4-ethoxyphenyl)phenyl]-4-methylaniline

N-[4-[[4-(diethylamino)phenyl]-bis[4-(N-[4-(4-ethoxyphenyl)phenyl]-4-methylanilino)phenyl]methyl]phenyl]-N-[4-(4-ethoxyphenyl)phenyl]-4-methylaniline (PubChem CID 20761227) has the molecular formula C92H86N4O3 and a molecular weight of 1295.72 g/mol. Its IUPAC name is N-[4-[[4-(diethylamino)phenyl]-bis[4-(N-[4-(4-ethoxyphenyl)phenyl]-4-methylanilino)phenyl]methyl]phenyl]-N-[4-(4-ethoxyphenyl)phenyl]-4-methylaniline.

Molecular Properties

Compound NameN-[4-[[4-(diethylamino)phenyl]-bis[4-(N-[4-(4-ethoxyphenyl)phenyl]-4-methylanilino)phenyl]methyl]phenyl]-N-[4-(4-ethoxyphenyl)phenyl]-4-methylaniline
PubChem CID20761227
Molecular FormulaC92H86N4O3
Molecular Weight1295.72 g/mol
Exact Mass1294.67
IUPAC NameN-[4-[[4-(diethylamino)phenyl]-bis[4-(N-[4-(4-ethoxyphenyl)phenyl]-4-methylanilino)phenyl]methyl]phenyl]-N-[4-(4-ethoxyphenyl)phenyl]-4-methylaniline
SMILESCCOc1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C(c4ccc(N(CC)CC)cc4)(c4ccc(N(c5ccc(C)cc5)c5ccc(-c6ccc(OCC)cc6)cc5)cc4)c4ccc(N(c5ccc(C)cc5)c5ccc(-c6ccc(OCC)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C92H86N4O3/c1-9-93(10-2)79-52-32-75(33-53-79)92(76-34-54-86(55-35-76)94(80-40-14-66(6)15-41-80)83-46-20-69(21-47-83)72-26-60-89(61-27-72)97-11-3,77-36-56-87(57-37-77)95(81-42-16-67(7)17-43-81)84-48-22-70(23-49-84)73-28-62-90(63-29-73)98-12-4)78-38-58-88(59-39-78)96(82-44-18-68(8)19-45-82)85-50-24-71(25-51-85)74-30-64-91(65-31-74)99-13-5/h14-65H,9-13H2,1-8H3
InChIKeyURSFZPRMLQOMCE-UHFFFAOYSA-N
XLogP24.45
TPSA40.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds25
Heavy Atoms99
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001295.72
LogP ≤ 524.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(diethylamino)phenyl]-bis[4-(N-[4-(4-ethoxyphenyl)phenyl]-4-methylanilino)phenyl]methyl]phenyl]-N-[4-(4-ethoxyphenyl)phenyl]-4-methylaniline?
The IUPAC name of N-[4-[[4-(diethylamino)phenyl]-bis[4-(N-[4-(4-ethoxyphenyl)phenyl]-4-methylanilino)phenyl]methyl]phenyl]-N-[4-(4-ethoxyphenyl)phenyl]-4-methylaniline (CID 20761227) is N-[4-[[4-(diethylamino)phenyl]-bis[4-(N-[4-(4-ethoxyphenyl)phenyl]-4-methylanilino)phenyl]methyl]phenyl]-N-[4-(4-ethoxyphenyl)phenyl]-4-methylaniline.
What is the SMILES notation for N-[4-[[4-(diethylamino)phenyl]-bis[4-(N-[4-(4-ethoxyphenyl)phenyl]-4-methylanilino)phenyl]methyl]phenyl]-N-[4-(4-ethoxyphenyl)phenyl]-4-methylaniline?
The canonical SMILES for N-[4-[[4-(diethylamino)phenyl]-bis[4-(N-[4-(4-ethoxyphenyl)phenyl]-4-methylanilino)phenyl]methyl]phenyl]-N-[4-(4-ethoxyphenyl)phenyl]-4-methylaniline is CCOc1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C(c4ccc(N(CC)CC)cc4)(c4ccc(N(c5ccc(C)cc5)c5ccc(-c6ccc(OCC)cc6)cc5)cc4)c4ccc(N(c5ccc(C)cc5)c5ccc(-c6ccc(OCC)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[[4-(diethylamino)phenyl]-bis[4-(N-[4-(4-ethoxyphenyl)phenyl]-4-methylanilino)phenyl]methyl]phenyl]-N-[4-(4-ethoxyphenyl)phenyl]-4-methylaniline?
The InChIKey is URSFZPRMLQOMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H86N4O3/c1-9-93(10-2)79-52-32-75(33-53-79)92(76-34-54-86(55-35-76)94(80-40-14-66(6)15-41-80)83-46-20-69(21-47-83)72-26-60-89(61-27-72)97-11-3,77-36-56-87(57-37-77)95(81-42-16-67(7)17-43-81)84-48-22-70(23-49-84)73-28-62-90(63-29-73)98-12-4)78-38-58-88(59-39-78)96(82-44-18-68(8)19-45-82)85-50-24-71(25-51-85)74-30-64-91(65-31-74)99-13-5/h14-65H,9-13H2,1-8H3.
What are the key properties of N-[4-[[4-(diethylamino)phenyl]-bis[4-(N-[4-(4-ethoxyphenyl)phenyl]-4-methylanilino)phenyl]methyl]phenyl]-N-[4-(4-ethoxyphenyl)phenyl]-4-methylaniline?
N-[4-[[4-(diethylamino)phenyl]-bis[4-(N-[4-(4-ethoxyphenyl)phenyl]-4-methylanilino)phenyl]methyl]phenyl]-N-[4-(4-ethoxyphenyl)phenyl]-4-methylaniline has a molecular weight of 1295.72 g/mol, XLogP of 24.45, 25 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(diethylamino)phenyl]-bis[4-(N-[4-(4-ethoxyphenyl)phenyl]-4-methylanilino)phenyl]methyl]phenyl]-N-[4-(4-ethoxyphenyl)phenyl]-4-methylaniline is sourced from PubChem (CID 20761227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).