N-[4-(6-indol-1-ylhexoxy)phenyl]-4-[4-(N-[4-(6-indol-1-ylhexoxy)phenyl]anilino)phenyl]-N-phenylaniline

C64H62N4O2 — CID 170794786

IUPACN-[4-(6-indol-1-ylhexoxy)phenyl]-4-[4-(N-[4-(6-indol-1-ylhexoxy)phenyl]anilino)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(OCCCCCCn3ccc4ccccc43)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(OCCCCCCn5ccc6ccccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C64H62N4O2/c1(15-45-65-47-43-53-19-11-13-25-63(53)65)3-17-49-69-61-39-35-59(36-40-61)67(55-21-7-5-8-22-55)57-31-27-51(28-32-57)52-29-33-58(34-30-52)68(56-23-9-6-10-24-56)60-37-41-62(42-38-60)70-50-18-4-2-16-46-66-48-44-54-20-12-14-26-64(54)66/h5-14,19-44,47-48H,1-4,15-18,45-46,49-50H2
InChIKeySOYMUUISVXBQJZ-UHFFFAOYSA-N
MW919.23 g/mol
LogP17.48
Rot. Bonds23

About N-[4-(6-indol-1-ylhexoxy)phenyl]-4-[4-(N-[4-(6-indol-1-ylhexoxy)phenyl]anilino)phenyl]-N-phenylaniline

N-[4-(6-indol-1-ylhexoxy)phenyl]-4-[4-(N-[4-(6-indol-1-ylhexoxy)phenyl]anilino)phenyl]-N-phenylaniline (PubChem CID 170794786) has the molecular formula C64H62N4O2 and a molecular weight of 919.23 g/mol. Its IUPAC name is N-[4-(6-indol-1-ylhexoxy)phenyl]-4-[4-(N-[4-(6-indol-1-ylhexoxy)phenyl]anilino)phenyl]-N-phenylaniline.

Molecular Properties

Compound NameN-[4-(6-indol-1-ylhexoxy)phenyl]-4-[4-(N-[4-(6-indol-1-ylhexoxy)phenyl]anilino)phenyl]-N-phenylaniline
PubChem CID170794786
Molecular FormulaC64H62N4O2
Molecular Weight919.23 g/mol
Exact Mass918.49
IUPAC NameN-[4-(6-indol-1-ylhexoxy)phenyl]-4-[4-(N-[4-(6-indol-1-ylhexoxy)phenyl]anilino)phenyl]-N-phenylaniline
SMILESc1ccc(N(c2ccc(OCCCCCCn3ccc4ccccc43)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(OCCCCCCn5ccc6ccccc65)cc4)cc3)cc2)cc1
InChIInChI=1S/C64H62N4O2/c1(15-45-65-47-43-53-19-11-13-25-63(53)65)3-17-49-69-61-39-35-59(36-40-61)67(55-21-7-5-8-22-55)57-31-27-51(28-32-57)52-29-33-58(34-30-52)68(56-23-9-6-10-24-56)60-37-41-62(42-38-60)70-50-18-4-2-16-46-66-48-44-54-20-12-14-26-64(54)66/h5-14,19-44,47-48H,1-4,15-18,45-46,49-50H2
InChIKeySOYMUUISVXBQJZ-UHFFFAOYSA-N
XLogP17.48
TPSA34.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.23
LogP ≤ 517.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

YoYo-1
CID 6438136
N-Methyl-5-benzyloxyindole
CID 259196
2-(5-{3-[3-(2-Amino-ethyl)-1H-indol-5-yloxymethyl]-benzyloxy}-1H-indol-3-yl)-ethylamine
CID 10647387
2-(5-{2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-ethoxy}-1H-indol-3-yl)-ethylamine
CID 10809674
2-(5-{6-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-hexyloxy}-1H-indol-3-yl)-ethylamine
CID 10836606
2-(5-((4-((3-(2-aminoethyl)-1H-indol-5-yloxy)methyl)phenyl)methoxy)-1H-indol-3-yl)ethanamine
CID 11797998
1,6-Bis(4-propan-2-yloxyphenyl)indole
CID 134179284
1-(4-methoxyphenyl)-1H-indole
CID 775715
[2-(1-Benzyl-5-methoxy-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 3028929
2-{5-[2-(4-{2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-ethyl}-piperazin-1-yl)-ethoxy]-1H-indol-3-yl}-ethylamine
CID 10791244
1'-[4-[1-(4-Fluorophenyl)indol-3-yl]butyl]spiro[2,3-dihydrochromene-4,4'-piperidine]
CID 10027638
2-(5-{2-[3-(2-Amino-ethyl)-1H-indol-5-yloxymethyl]-benzyloxy}-1H-indol-3-yl)-ethylamine
CID 11797999

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-indol-1-ylhexoxy)phenyl]-4-[4-(N-[4-(6-indol-1-ylhexoxy)phenyl]anilino)phenyl]-N-phenylaniline?
The IUPAC name of N-[4-(6-indol-1-ylhexoxy)phenyl]-4-[4-(N-[4-(6-indol-1-ylhexoxy)phenyl]anilino)phenyl]-N-phenylaniline (CID 170794786) is N-[4-(6-indol-1-ylhexoxy)phenyl]-4-[4-(N-[4-(6-indol-1-ylhexoxy)phenyl]anilino)phenyl]-N-phenylaniline.
What is the SMILES notation for N-[4-(6-indol-1-ylhexoxy)phenyl]-4-[4-(N-[4-(6-indol-1-ylhexoxy)phenyl]anilino)phenyl]-N-phenylaniline?
The canonical SMILES for N-[4-(6-indol-1-ylhexoxy)phenyl]-4-[4-(N-[4-(6-indol-1-ylhexoxy)phenyl]anilino)phenyl]-N-phenylaniline is c1ccc(N(c2ccc(OCCCCCCn3ccc4ccccc43)cc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(OCCCCCCn5ccc6ccccc65)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-(6-indol-1-ylhexoxy)phenyl]-4-[4-(N-[4-(6-indol-1-ylhexoxy)phenyl]anilino)phenyl]-N-phenylaniline?
The InChIKey is SOYMUUISVXBQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H62N4O2/c1(15-45-65-47-43-53-19-11-13-25-63(53)65)3-17-49-69-61-39-35-59(36-40-61)67(55-21-7-5-8-22-55)57-31-27-51(28-32-57)52-29-33-58(34-30-52)68(56-23-9-6-10-24-56)60-37-41-62(42-38-60)70-50-18-4-2-16-46-66-48-44-54-20-12-14-26-64(54)66/h5-14,19-44,47-48H,1-4,15-18,45-46,49-50H2.
What are the key properties of N-[4-(6-indol-1-ylhexoxy)phenyl]-4-[4-(N-[4-(6-indol-1-ylhexoxy)phenyl]anilino)phenyl]-N-phenylaniline?
N-[4-(6-indol-1-ylhexoxy)phenyl]-4-[4-(N-[4-(6-indol-1-ylhexoxy)phenyl]anilino)phenyl]-N-phenylaniline has a molecular weight of 919.23 g/mol, XLogP of 17.48, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-indol-1-ylhexoxy)phenyl]-4-[4-(N-[4-(6-indol-1-ylhexoxy)phenyl]anilino)phenyl]-N-phenylaniline is sourced from PubChem (CID 170794786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).