N-[4-[3,5-bis[4-(N-(4-ethoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-ethoxyphenyl)-4-methylaniline

C69H63N3O3 — CID 18716616

IUPACN-[4-[3,5-bis[4-(N-(4-ethoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-ethoxyphenyl)-4-methylaniline
SMILESCCOc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc(-c4ccc(N(c5ccc(C)cc5)c5ccc(OCC)cc5)cc4)cc(-c4ccc(N(c5ccc(C)cc5)c5ccc(OCC)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C69H63N3O3/c1-7-73-67-40-34-64(35-41-67)70(58-22-10-49(4)11-23-58)61-28-16-52(17-29-61)55-46-56(53-18-30-62(31-19-53)71(59-24-12-50(5)13-25-59)65-36-42-68(43-37-65)74-8-2)48-57(47-55)54-20-32-63(33-21-54)72(60-26-14-51(6)15-27-60)66-38-44-69(45-39-66)75-9-3/h10-48H,7-9H2,1-6H3
InChIKeyLWCGAEKYLJYSBD-UHFFFAOYSA-N
MW982.28 g/mol
LogP19.22
Rot. Bonds18

About N-[4-[3,5-bis[4-(N-(4-ethoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-ethoxyphenyl)-4-methylaniline

N-[4-[3,5-bis[4-(N-(4-ethoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-ethoxyphenyl)-4-methylaniline (PubChem CID 18716616) has the molecular formula C69H63N3O3 and a molecular weight of 982.28 g/mol. Its IUPAC name is N-[4-[3,5-bis[4-(N-(4-ethoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-ethoxyphenyl)-4-methylaniline.

Molecular Properties

Compound NameN-[4-[3,5-bis[4-(N-(4-ethoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-ethoxyphenyl)-4-methylaniline
PubChem CID18716616
Molecular FormulaC69H63N3O3
Molecular Weight982.28 g/mol
Exact Mass981.49
IUPAC NameN-[4-[3,5-bis[4-(N-(4-ethoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-ethoxyphenyl)-4-methylaniline
SMILESCCOc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc(-c4ccc(N(c5ccc(C)cc5)c5ccc(OCC)cc5)cc4)cc(-c4ccc(N(c5ccc(C)cc5)c5ccc(OCC)cc5)cc4)c3)cc2)cc1
InChIInChI=1S/C69H63N3O3/c1-7-73-67-40-34-64(35-41-67)70(58-22-10-49(4)11-23-58)61-28-16-52(17-29-61)55-46-56(53-18-30-62(31-19-53)71(59-24-12-50(5)13-25-59)65-36-42-68(43-37-65)74-8-2)48-57(47-55)54-20-32-63(33-21-54)72(60-26-14-51(6)15-27-60)66-38-44-69(45-39-66)75-9-3/h10-48H,7-9H2,1-6H3
InChIKeyLWCGAEKYLJYSBD-UHFFFAOYSA-N
XLogP19.22
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500982.28
LogP ≤ 519.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[4-[3,5-bis[4-(N-(4-ethoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-ethoxyphenyl)-4-methylaniline with MolForge

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Related Compounds

(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(3-trityloxyphenyl)penta-1,4-dien-3-one
CID 54580170
(1,1'-Biphenyl)-4,4'-diamine, N4,N4,N4',N4'-tetrakis(4-methoxyphenyl)-
CID 23069933
Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-[(4-ethoxyphenyl)amino]-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-, chloride (1:1)
CID 166417
(2R,3S)-4-benzyl-1-(4-methoxyphenyl)-3-methyl-2-[(4-phenylphenyl)methyl]-3,5-dihydro-2H-1,4-benzodiazepine
CID 53383662
(2R,3S)-4-benzyl-2-[(2,6-dimethylphenyl)methyl]-1-(4-methoxyphenyl)-3-methyl-3,5-dihydro-2H-1,4-benzodiazepine
CID 53383665
4-(1-adamantyloxy)-N-methyl-N-(2-phenylethyl)aniline;hydrochloride
CID 20342191
N,N'-Bis(2-methyl-4-methoxyphenyl)-N,N'-diphenylbenzidine
CID 23517938
1-(4-Phenylphenyl)-3-[4-[4-[(4-phenylphenyl)carbamoylamino]phenoxy]phenyl]urea
CID 255334
4-methyl-N-(4-phenoxyphenyl)aniline
CID 14691150
N-(naphthalen-1-ylmethyl)-4-[4-(naphthalen-1-ylmethylamino)phenoxy]aniline
CID 76325339
N-(anthracen-9-ylmethyl)-4-[4-(anthracen-9-ylmethylamino)phenoxy]aniline
CID 76328882
N-phenyl-4-(4-phenylmethoxyphenoxy)aniline
CID 145965648

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis[4-(N-(4-ethoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-ethoxyphenyl)-4-methylaniline?
The IUPAC name of N-[4-[3,5-bis[4-(N-(4-ethoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-ethoxyphenyl)-4-methylaniline (CID 18716616) is N-[4-[3,5-bis[4-(N-(4-ethoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-ethoxyphenyl)-4-methylaniline.
What is the SMILES notation for N-[4-[3,5-bis[4-(N-(4-ethoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-ethoxyphenyl)-4-methylaniline?
The canonical SMILES for N-[4-[3,5-bis[4-(N-(4-ethoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-ethoxyphenyl)-4-methylaniline is CCOc1ccc(N(c2ccc(C)cc2)c2ccc(-c3cc(-c4ccc(N(c5ccc(C)cc5)c5ccc(OCC)cc5)cc4)cc(-c4ccc(N(c5ccc(C)cc5)c5ccc(OCC)cc5)cc4)c3)cc2)cc1.
What is the InChIKey of N-[4-[3,5-bis[4-(N-(4-ethoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-ethoxyphenyl)-4-methylaniline?
The InChIKey is LWCGAEKYLJYSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H63N3O3/c1-7-73-67-40-34-64(35-41-67)70(58-22-10-49(4)11-23-58)61-28-16-52(17-29-61)55-46-56(53-18-30-62(31-19-53)71(59-24-12-50(5)13-25-59)65-36-42-68(43-37-65)74-8-2)48-57(47-55)54-20-32-63(33-21-54)72(60-26-14-51(6)15-27-60)66-38-44-69(45-39-66)75-9-3/h10-48H,7-9H2,1-6H3.
What are the key properties of N-[4-[3,5-bis[4-(N-(4-ethoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-ethoxyphenyl)-4-methylaniline?
N-[4-[3,5-bis[4-(N-(4-ethoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-ethoxyphenyl)-4-methylaniline has a molecular weight of 982.28 g/mol, XLogP of 19.22, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis[4-(N-(4-ethoxyphenyl)-4-methylanilino)phenyl]phenyl]phenyl]-N-(4-ethoxyphenyl)-4-methylaniline is sourced from PubChem (CID 18716616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).