4-[2-[[4-anilino-6-[4-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol

C40H38N12O2 — CID 11181674

IUPAC4-[2-[[4-anilino-6-[4-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol
SMILESOc1ccc(CCNc2nc(Nc3ccccc3)nc(Nc3ccc(Nc4nc(NCCc5ccc(O)cc5)nc(Nc5ccccc5)n4)cc3)n2)cc1
InChIInChI=1S/C40H38N12O2/c53-33-19-11-27(12-20-33)23-25-41-35-47-37(43-29-7-3-1-4-8-29)51-39(49-35)45-31-15-17-32(18-16-31)46-40-50-36(42-26-24-28-13-21-34(54)22-14-28)48-38(52-40)44-30-9-5-2-6-10-30/h1-22,53-54H,23-26H2,(H3,41,43,45,47,49,51)(H3,42,44,46,48,50,52)
InChIKeyKDROSXMVZRKJFM-UHFFFAOYSA-N
MW718.83 g/mol
LogP7.75
Rot. Bonds16

About 4-[2-[[4-anilino-6-[4-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol

4-[2-[[4-anilino-6-[4-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol (PubChem CID 11181674) has the molecular formula C40H38N12O2 and a molecular weight of 718.83 g/mol. Its IUPAC name is 4-[2-[[4-anilino-6-[4-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[4-anilino-6-[4-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol
PubChem CID11181674
Molecular FormulaC40H38N12O2
Molecular Weight718.83 g/mol
Exact Mass718.32
IUPAC Name4-[2-[[4-anilino-6-[4-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol
SMILESOc1ccc(CCNc2nc(Nc3ccccc3)nc(Nc3ccc(Nc4nc(NCCc5ccc(O)cc5)nc(Nc5ccccc5)n4)cc3)n2)cc1
InChIInChI=1S/C40H38N12O2/c53-33-19-11-27(12-20-33)23-25-41-35-47-37(43-29-7-3-1-4-8-29)51-39(49-35)45-31-15-17-32(18-16-31)46-40-50-36(42-26-24-28-13-21-34(54)22-14-28)48-38(52-40)44-30-9-5-2-6-10-30/h1-22,53-54H,23-26H2,(H3,41,43,45,47,49,51)(H3,42,44,46,48,50,52)
InChIKeyKDROSXMVZRKJFM-UHFFFAOYSA-N
XLogP7.75
TPSA189.98 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms54
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500718.83
LogP ≤ 57.75
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze 4-[2-[[4-anilino-6-[4-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol with MolForge

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Related Compounds

4-[2-[[4-anilino-6-[2-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]ethylamino]-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 11445284
4-[2-[[4-[4-[2-[[4-(3-aminopropylamino)-6-anilino-1,3,5-triazin-2-yl]amino]ethyl]anilino]-6-anilino-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 11490897
4-[2-[[4-anilino-6-[2-[2-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]diazenyl]ethylamino]ethyldiazenyl]-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 118934221
4-[2-[[4-anilino-6-[4-[[[4-(3-anilinoanilino)-6-[2-(1H-imidazol-5-yl)ethylamino]-1,3,5-triazin-2-yl]amino]methyl]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 11457058
4-[2-[[4-(benzylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 134088617
4-[[4-[2-[2-(2-benzamidoethoxy)ethoxy]ethylamino]-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]-N-[2-(2-propoxyethoxy)ethyl]benzamide
CID 143583787
2-[[4-(3-aminoanilino)-6-[2-[4-[[4,6-bis(3-aminoanilino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol
CID 45486433
6-N-[5-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]pentyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 20775300
2-N,4-N-bis(3-aminophenyl)-6-N-[2-(4-aminophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 11683342
2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 159020840
4-N,6-N-bis(2-aminoethyl)-2-N-phenyl-1,3,5-triazine-2,4,6-triamine;ethane
CID 145028947
2-[2-(4-hydroxyphenyl)ethylamino]-4,6-dimethylpyrimidine-5-carboxylic acid
CID 70896122

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-anilino-6-[4-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[4-anilino-6-[4-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol (CID 11181674) is 4-[2-[[4-anilino-6-[4-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[4-anilino-6-[4-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[4-anilino-6-[4-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol is Oc1ccc(CCNc2nc(Nc3ccccc3)nc(Nc3ccc(Nc4nc(NCCc5ccc(O)cc5)nc(Nc5ccccc5)n4)cc3)n2)cc1.
What is the InChIKey of 4-[2-[[4-anilino-6-[4-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol?
The InChIKey is KDROSXMVZRKJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38N12O2/c53-33-19-11-27(12-20-33)23-25-41-35-47-37(43-29-7-3-1-4-8-29)51-39(49-35)45-31-15-17-32(18-16-31)46-40-50-36(42-26-24-28-13-21-34(54)22-14-28)48-38(52-40)44-30-9-5-2-6-10-30/h1-22,53-54H,23-26H2,(H3,41,43,45,47,49,51)(H3,42,44,46,48,50,52).
What are the key properties of 4-[2-[[4-anilino-6-[4-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol?
4-[2-[[4-anilino-6-[4-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol has a molecular weight of 718.83 g/mol, XLogP of 7.75, 16 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-anilino-6-[4-[[4-anilino-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]ethyl]phenol is sourced from PubChem (CID 11181674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).