N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-ethylanilino]phenyl]phenyl]phenyl]-N-(4-ethylphenyl)-2,3-dihydro-1H-inden-5-amine

C52H48N2 — CID 59383746

IUPACN-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-ethylanilino]phenyl]phenyl]phenyl]-N-(4-ethylphenyl)-2,3-dihydro-1H-inden-5-amine
SMILESCCc1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(CC)cc5)c5ccc6c(c5)CCC6)cc4)cc3)cc2)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C52H48N2/c1-3-37-11-25-47(26-12-37)53(51-33-23-39-7-5-9-45(39)35-51)49-29-19-43(20-30-49)41-15-17-42(18-16-41)44-21-31-50(32-22-44)54(48-27-13-38(4-2)14-28-48)52-34-24-40-8-6-10-46(40)36-52/h11-36H,3-10H2,1-2H3
InChIKeyATLNDDGLMUPZTF-UHFFFAOYSA-N
MW700.97 g/mol
LogP14.06
Rot. Bonds10

About N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-ethylanilino]phenyl]phenyl]phenyl]-N-(4-ethylphenyl)-2,3-dihydro-1H-inden-5-amine

N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-ethylanilino]phenyl]phenyl]phenyl]-N-(4-ethylphenyl)-2,3-dihydro-1H-inden-5-amine (PubChem CID 59383746) has the molecular formula C52H48N2 and a molecular weight of 700.97 g/mol. Its IUPAC name is N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-ethylanilino]phenyl]phenyl]phenyl]-N-(4-ethylphenyl)-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-ethylanilino]phenyl]phenyl]phenyl]-N-(4-ethylphenyl)-2,3-dihydro-1H-inden-5-amine
PubChem CID59383746
Molecular FormulaC52H48N2
Molecular Weight700.97 g/mol
Exact Mass700.38
IUPAC NameN-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-ethylanilino]phenyl]phenyl]phenyl]-N-(4-ethylphenyl)-2,3-dihydro-1H-inden-5-amine
SMILESCCc1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(CC)cc5)c5ccc6c(c5)CCC6)cc4)cc3)cc2)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C52H48N2/c1-3-37-11-25-47(26-12-37)53(51-33-23-39-7-5-9-45(39)35-51)49-29-19-43(20-30-49)41-15-17-42(18-16-41)44-21-31-50(32-22-44)54(48-27-13-38(4-2)14-28-48)52-34-24-40-8-6-10-46(40)36-52/h11-36H,3-10H2,1-2H3
InChIKeyATLNDDGLMUPZTF-UHFFFAOYSA-N
XLogP14.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.97
LogP ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-ethylanilino]phenyl]phenyl]phenyl]-N-(4-ethylphenyl)-2,3-dihydro-1H-inden-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]phenyl]anilino]phenyl]methanol
CID 59148670
4-N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-4-N-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-4-(4-methyl-N-(4-methylphenyl)anilino)anilino]phenyl]-1-N,1-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 144971641
4-N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-1-N,1-N,4-N-tris(4-methylphenyl)benzene-1,4-diamine
CID 158470830
N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-[4-[4-(2-methylbutan-2-yl)phenyl]phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 122451349
N-[4-[8-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)octyl]phenyl]-N-[4-[4-(N-[4-[8-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)octyl]phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline
CID 58251066
1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine
CID 58862530
4-ethyl-N-[4-[4-[4-(4-ethyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121323857
N-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-4-methyl-N-[4-[4-(4-methylphenyl)phenyl]phenyl]aniline
CID 58251007
[4-(4-ethyl-N-[4-[4-(4-ethyl-N-[4-(hydroxymethyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]methanol
CID 18935095
N,N-bis[4-(4-tert-butylphenyl)phenyl]-4-(4-ethylphenyl)aniline
CID 59863422
N-phenyl-N-[4-[4-[4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]phenyl]phenyl]phenyl]dibenzothiophen-2-amine
CID 175632026
N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-N-phenylbicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
CID 121412737

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-ethylanilino]phenyl]phenyl]phenyl]-N-(4-ethylphenyl)-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-ethylanilino]phenyl]phenyl]phenyl]-N-(4-ethylphenyl)-2,3-dihydro-1H-inden-5-amine (CID 59383746) is N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-ethylanilino]phenyl]phenyl]phenyl]-N-(4-ethylphenyl)-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-ethylanilino]phenyl]phenyl]phenyl]-N-(4-ethylphenyl)-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-ethylanilino]phenyl]phenyl]phenyl]-N-(4-ethylphenyl)-2,3-dihydro-1H-inden-5-amine is CCc1ccc(N(c2ccc(-c3ccc(-c4ccc(N(c5ccc(CC)cc5)c5ccc6c(c5)CCC6)cc4)cc3)cc2)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-ethylanilino]phenyl]phenyl]phenyl]-N-(4-ethylphenyl)-2,3-dihydro-1H-inden-5-amine?
The InChIKey is ATLNDDGLMUPZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H48N2/c1-3-37-11-25-47(26-12-37)53(51-33-23-39-7-5-9-45(39)35-51)49-29-19-43(20-30-49)41-15-17-42(18-16-41)44-21-31-50(32-22-44)54(48-27-13-38(4-2)14-28-48)52-34-24-40-8-6-10-46(40)36-52/h11-36H,3-10H2,1-2H3.
What are the key properties of N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-ethylanilino]phenyl]phenyl]phenyl]-N-(4-ethylphenyl)-2,3-dihydro-1H-inden-5-amine?
N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-ethylanilino]phenyl]phenyl]phenyl]-N-(4-ethylphenyl)-2,3-dihydro-1H-inden-5-amine has a molecular weight of 700.97 g/mol, XLogP of 14.06, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-ethylanilino]phenyl]phenyl]phenyl]-N-(4-ethylphenyl)-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 59383746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).