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

C44H43N15O — CID 11457058

IUPAC4-[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
SMILESOc1ccc(CCNc2nc(Nc3ccccc3)nc(Nc3ccc(CNc4nc(NCCc5cnc[nH]5)nc(Nc5cccc(Nc6ccccc6)c5)n4)cc3)n2)cc1
InChIInChI=1S/C44H43N15O/c60-38-20-16-30(17-21-38)22-24-46-40-56-42(51-33-10-5-2-6-11-33)59-43(57-40)52-34-18-14-31(15-19-34)27-48-41-54-39(47-25-23-37-28-45-29-49-37)55-44(58-41)53-36-13-7-12-35(26-36)50-32-8-3-1-4-9-32/h1-21,26,28-29,50,60H,22-25,27H2,(H,45,49)(H3,46,51,52,56,57,59)(H3,47,48,53,54,55,58)
InChIKeyGBZXRRYPSQGLRF-UHFFFAOYSA-N
MW797.93 g/mol
LogP8.38
Rot. Bonds19

About 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

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 (PubChem CID 11457058) has the molecular formula C44H43N15O and a molecular weight of 797.93 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID11457058
Molecular FormulaC44H43N15O
Molecular Weight797.93 g/mol
Exact Mass797.38
IUPAC Name4-[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
SMILESOc1ccc(CCNc2nc(Nc3ccccc3)nc(Nc3ccc(CNc4nc(NCCc5cnc[nH]5)nc(Nc5cccc(Nc6ccccc6)c5)n4)cc3)n2)cc1
InChIInChI=1S/C44H43N15O/c60-38-20-16-30(17-21-38)22-24-46-40-56-42(51-33-10-5-2-6-11-33)59-43(57-40)52-34-18-14-31(15-19-34)27-48-41-54-39(47-25-23-37-28-45-29-49-37)55-44(58-41)53-36-13-7-12-35(26-36)50-32-8-3-1-4-9-32/h1-21,26,28-29,50,60H,22-25,27H2,(H,45,49)(H3,46,51,52,56,57,59)(H3,47,48,53,54,55,58)
InChIKeyGBZXRRYPSQGLRF-UHFFFAOYSA-N
XLogP8.38
TPSA210.46 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms60
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500797.93
LogP ≤ 58.38
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

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
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-(benzylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 134088617
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-N-[2-(4-aminophenyl)ethyl]-6-N-ethyl-2-N-[2-(1H-imidazol-5-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 171061588
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
2-N-[2-(3-fluorophenyl)ethyl]-4-N-[2-(1H-imidazol-5-yl)ethyl]quinazoline-2,4-diamine
CID 156820997
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597
5-ethyl-4-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-phenylpyrimidine-2,4-diamine
CID 141089686
2-N,4-N-bis(3-aminophenyl)-6-N-[2-(4-aminophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 11683342
N-[3-[[5-bromo-4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide
CID 10364570

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Oc1ccc(CCNc2nc(Nc3ccccc3)nc(Nc3ccc(CNc4nc(NCCc5cnc[nH]5)nc(Nc5cccc(Nc6ccccc6)c5)n4)cc3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is GBZXRRYPSQGLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H43N15O/c60-38-20-16-30(17-21-38)22-24-46-40-56-42(51-33-10-5-2-6-11-33)59-43(57-40)52-34-18-14-31(15-19-34)27-48-41-54-39(47-25-23-37-28-45-29-49-37)55-44(58-41)53-36-13-7-12-35(26-36)50-32-8-3-1-4-9-32/h1-21,26,28-29,50,60H,22-25,27H2,(H,45,49)(H3,46,51,52,56,57,59)(H3,47,48,53,54,55,58).
What are the key properties of 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?
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 has a molecular weight of 797.93 g/mol, XLogP of 8.38, 19 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 11457058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).