4-[4-[6-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N,N-bis(4-methoxyphenyl)aniline

C58H54N2O4 — CID 142469386

IUPAC4-[4-[6-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N,N-bis(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(C4(C)CC(C)(C)c5ccc(-c6ccc(N(c7ccc(OC)cc7)c7ccc(OC)cc7)cc6)cc54)cc3)cc2)cc1
InChIInChI=1S/C58H54N2O4/c1-57(2)39-58(3,44-15-8-40(9-16-44)41-10-17-45(18-11-41)59(47-21-29-51(61-4)30-22-47)48-23-31-52(62-5)32-24-48)56-38-43(14-37-55(56)57)42-12-19-46(20-13-42)60(49-25-33-53(63-6)34-26-49)50-27-35-54(64-7)36-28-50/h8-38H,39H2,1-7H3
InChIKeyAVZWOBIAJGGJQU-UHFFFAOYSA-N
MW843.08 g/mol
LogP14.98
Rot. Bonds13

About 4-[4-[6-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N,N-bis(4-methoxyphenyl)aniline

4-[4-[6-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N,N-bis(4-methoxyphenyl)aniline (PubChem CID 142469386) has the molecular formula C58H54N2O4 and a molecular weight of 843.08 g/mol. Its IUPAC name is 4-[4-[6-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N,N-bis(4-methoxyphenyl)aniline.

Molecular Properties

Compound Name4-[4-[6-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N,N-bis(4-methoxyphenyl)aniline
PubChem CID142469386
Molecular FormulaC58H54N2O4
Molecular Weight843.08 g/mol
Exact Mass842.41
IUPAC Name4-[4-[6-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N,N-bis(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(C4(C)CC(C)(C)c5ccc(-c6ccc(N(c7ccc(OC)cc7)c7ccc(OC)cc7)cc6)cc54)cc3)cc2)cc1
InChIInChI=1S/C58H54N2O4/c1-57(2)39-58(3,44-15-8-40(9-16-44)41-10-17-45(18-11-41)59(47-21-29-51(61-4)30-22-47)48-23-31-52(62-5)32-24-48)56-38-43(14-37-55(56)57)42-12-19-46(20-13-42)60(49-25-33-53(63-6)34-26-49)50-27-35-54(64-7)36-28-50/h8-38H,39H2,1-7H3
InChIKeyAVZWOBIAJGGJQU-UHFFFAOYSA-N
XLogP14.98
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.08
LogP ≤ 514.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[6-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N,N-bis(4-methoxyphenyl)aniline with MolForge

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Related Compounds

5-methoxy-3-(4-methoxyphenyl)-1,1,3-trimethyl-2H-indene
CID 624568
1,3,3-trimethyl-N,N-bis(4-phenylphenyl)-1-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-2H-inden-5-amine
CID 142469435
4-N,4-N-diphenyl-1-N-[4-[1,3,3-trimethyl-6-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)-2H-inden-1-yl]phenyl]benzene-1,4-diamine
CID 175763314
1-(4-methoxyphenyl)-1,3,3-trimethyl-2H-inden-5-ol
CID 142243705
1,1,3-trimethyl-5-(4-methylphenoxy)-3-[4-(4-methylphenoxy)phenyl]-2H-indene
CID 148646506
4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
CID 171735947
N-phenyl-N-[3-[4-[3-(4-phenyl-N-(1,1,3,3-tetramethyl-2H-inden-5-yl)anilino)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 170223052
N-[4-[4-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 130397287
N,N-bis(4-methoxyphenyl)-4-[11,13,15-tris[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaenyl]aniline
CID 122449104
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
4-[4-[N-(4-methoxyphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 90228188
4-[4-(N-(4-methoxyphenyl)anilino)phenyl]-N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 90228198

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N,N-bis(4-methoxyphenyl)aniline?
The IUPAC name of 4-[4-[6-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N,N-bis(4-methoxyphenyl)aniline (CID 142469386) is 4-[4-[6-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N,N-bis(4-methoxyphenyl)aniline.
What is the SMILES notation for 4-[4-[6-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N,N-bis(4-methoxyphenyl)aniline?
The canonical SMILES for 4-[4-[6-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N,N-bis(4-methoxyphenyl)aniline is COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(C4(C)CC(C)(C)c5ccc(-c6ccc(N(c7ccc(OC)cc7)c7ccc(OC)cc7)cc6)cc54)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[6-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N,N-bis(4-methoxyphenyl)aniline?
The InChIKey is AVZWOBIAJGGJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H54N2O4/c1-57(2)39-58(3,44-15-8-40(9-16-44)41-10-17-45(18-11-41)59(47-21-29-51(61-4)30-22-47)48-23-31-52(62-5)32-24-48)56-38-43(14-37-55(56)57)42-12-19-46(20-13-42)60(49-25-33-53(63-6)34-26-49)50-27-35-54(64-7)36-28-50/h8-38H,39H2,1-7H3.
What are the key properties of 4-[4-[6-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N,N-bis(4-methoxyphenyl)aniline?
4-[4-[6-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N,N-bis(4-methoxyphenyl)aniline has a molecular weight of 843.08 g/mol, XLogP of 14.98, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-1,3,3-trimethyl-2H-inden-1-yl]phenyl]-N,N-bis(4-methoxyphenyl)aniline is sourced from PubChem (CID 142469386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).