4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]-N,N-bis[4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]phenyl]aniline

C72H66N4O3S3 — CID 175536380

IUPAC4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]-N,N-bis[4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]phenyl]aniline
SMILESc1csc(C(c2ccc(N(c3ccc(C(c4cccs4)C4(c5c[nH]c6ccccc56)CCCCO4)cc3)c3ccc(C(c4cccs4)C4(c5c[nH]c6ccccc56)CCCCO4)cc3)cc2)C2(c3c[nH]c4ccccc34)CCCCO2)c1
InChIInChI=1S/C72H66N4O3S3/c1-4-19-61-55(16-1)58(46-73-61)70(37-7-10-40-77-70)67(64-22-13-43-80-64)49-25-31-52(32-26-49)76(53-33-27-50(28-34-53)68(65-23-14-44-81-65)71(38-8-11-41-78-71)59-47-74-62-20-5-2-17-56(59)62)54-35-29-51(30-36-54)69(66-24-15-45-82-66)72(39-9-12-42-79-72)60-48-75-63-21-6-3-18-57(60)63/h1-6,13-36,43-48,67-69,73-75H,7-12,37-42H2
InChIKeyAWTMXLYPUSTNAU-UHFFFAOYSA-N
MW1131.55 g/mol
LogP19.47
Rot. Bonds15

About 4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]-N,N-bis[4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]phenyl]aniline

4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]-N,N-bis[4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]phenyl]aniline (PubChem CID 175536380) has the molecular formula C72H66N4O3S3 and a molecular weight of 1131.55 g/mol. Its IUPAC name is 4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]-N,N-bis[4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]phenyl]aniline.

Molecular Properties

Compound Name4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]-N,N-bis[4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]phenyl]aniline
PubChem CID175536380
Molecular FormulaC72H66N4O3S3
Molecular Weight1131.55 g/mol
Exact Mass1130.43
IUPAC Name4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]-N,N-bis[4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]phenyl]aniline
SMILESc1csc(C(c2ccc(N(c3ccc(C(c4cccs4)C4(c5c[nH]c6ccccc56)CCCCO4)cc3)c3ccc(C(c4cccs4)C4(c5c[nH]c6ccccc56)CCCCO4)cc3)cc2)C2(c3c[nH]c4ccccc34)CCCCO2)c1
InChIInChI=1S/C72H66N4O3S3/c1-4-19-61-55(16-1)58(46-73-61)70(37-7-10-40-77-70)67(64-22-13-43-80-64)49-25-31-52(32-26-49)76(53-33-27-50(28-34-53)68(65-23-14-44-81-65)71(38-8-11-41-78-71)59-47-74-62-20-5-2-17-56(59)62)54-35-29-51(30-36-54)69(66-24-15-45-82-66)72(39-9-12-42-79-72)60-48-75-63-21-6-3-18-57(60)63/h1-6,13-36,43-48,67-69,73-75H,7-12,37-42H2
InChIKeyAWTMXLYPUSTNAU-UHFFFAOYSA-N
XLogP19.47
TPSA78.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001131.55
LogP ≤ 519.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]-N,N-bis[4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]phenyl]aniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]-N,N-bis[4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]phenyl]aniline?
The IUPAC name of 4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]-N,N-bis[4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]phenyl]aniline (CID 175536380) is 4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]-N,N-bis[4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]phenyl]aniline.
What is the SMILES notation for 4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]-N,N-bis[4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]phenyl]aniline?
The canonical SMILES for 4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]-N,N-bis[4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]phenyl]aniline is c1csc(C(c2ccc(N(c3ccc(C(c4cccs4)C4(c5c[nH]c6ccccc56)CCCCO4)cc3)c3ccc(C(c4cccs4)C4(c5c[nH]c6ccccc56)CCCCO4)cc3)cc2)C2(c3c[nH]c4ccccc34)CCCCO2)c1.
What is the InChIKey of 4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]-N,N-bis[4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]phenyl]aniline?
The InChIKey is AWTMXLYPUSTNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H66N4O3S3/c1-4-19-61-55(16-1)58(46-73-61)70(37-7-10-40-77-70)67(64-22-13-43-80-64)49-25-31-52(32-26-49)76(53-33-27-50(28-34-53)68(65-23-14-44-81-65)71(38-8-11-41-78-71)59-47-74-62-20-5-2-17-56(59)62)54-35-29-51(30-36-54)69(66-24-15-45-82-66)72(39-9-12-42-79-72)60-48-75-63-21-6-3-18-57(60)63/h1-6,13-36,43-48,67-69,73-75H,7-12,37-42H2.
What are the key properties of 4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]-N,N-bis[4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]phenyl]aniline?
4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]-N,N-bis[4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]phenyl]aniline has a molecular weight of 1131.55 g/mol, XLogP of 19.47, 15 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]-N,N-bis[4-[[2-(1H-indol-3-yl)oxan-2-yl]-thiophen-2-ylmethyl]phenyl]aniline is sourced from PubChem (CID 175536380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).