7-[[3-[[3-[[3-[[3,5-bis[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenoxy]methyl]-5-(hydroxymethyl)phenyl]methoxy]-5-[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenyl]methyl-ethylamino]-4,6-dimethylchromen-2-one

C161H164N8O23 — CID 101055832

IUPAC7-[[3-[[3-[[3-[[3,5-bis[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenoxy]methyl]-5-(hydroxymethyl)phenyl]methoxy]-5-[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenyl]methyl-ethylamino]-4,6-dimethylchromen-2-one
SMILESCCN(Cc1cc(CN(CC)c2cc3oc(=O)cc(C)c3cc2C)cc(OCc2cc(COc3cc(CN(CC)c4cc5oc(=O)cc(C)c5cc4C)cc(CN(CC)c4cc5oc(=O)cc(C)c5cc4C)c3)cc(OCc3cc(CO)cc(COc4cc(COc5cc(CN(CC)c6cc7oc(=O)cc(C)c7cc6C)cc(CN(CC)c6cc7oc(=O)cc(C)c7cc6C)c5)cc(COc5cc(CN(CC)c6cc7oc(=O)cc(C)c7cc6C)cc(CN(CC)c6cc7oc(=O)cc(C)c7cc6C)c5)c4)c3)c2)c1)c1cc2oc(=O)cc(C)c2cc1C
InChIInChI=1S/C161H164N8O23/c1-25-162(138-70-146-130(33-101(138)17)93(9)41-154(171)185-146)78-109-49-110(79-163(26-2)139-71-147-131(34-102(139)18)94(10)42-155(172)186-147)59-124(58-109)181-89-120-56-121(90-182-125-60-111(80-164(27-3)140-72-148-132(35-103(140)19)95(11)43-156(173)187-148)50-112(61-125)81-165(28-4)141-73-149-133(36-104(141)20)96(12)44-157(174)188-149)67-128(66-120)179-87-118-53-117(86-170)54-119(55-118)88-180-129-68-122(91-183-126-62-113(82-166(29-5)142-74-150-134(37-105(142)21)97(13)45-158(175)189-150)51-114(63-126)83-167(30-6)143-75-151-135(38-106(143)22)98(14)46-159(176)190-151)57-123(69-129)92-184-127-64-115(84-168(31-7)144-76-152-136(39-107(144)23)99(15)47-160(177)191-152)52-116(65-127)85-169(32-8)145-77-153-137(40-108(145)24)100(16)48-161(178)192-153/h33-77,170H,25-32,78-92H2,1-24H3
InChIKeyCYAAOUVJOCEMNJ-UHFFFAOYSA-N
MW2579.12 g/mol
LogP32.65
Rot. Bonds51

About 7-[[3-[[3-[[3-[[3,5-bis[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenoxy]methyl]-5-(hydroxymethyl)phenyl]methoxy]-5-[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenyl]methyl-ethylamino]-4,6-dimethylchromen-2-one

7-[[3-[[3-[[3-[[3,5-bis[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenoxy]methyl]-5-(hydroxymethyl)phenyl]methoxy]-5-[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenyl]methyl-ethylamino]-4,6-dimethylchromen-2-one (PubChem CID 101055832) has the molecular formula C161H164N8O23 and a molecular weight of 2579.12 g/mol. Its IUPAC name is 7-[[3-[[3-[[3-[[3,5-bis[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenoxy]methyl]-5-(hydroxymethyl)phenyl]methoxy]-5-[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenyl]methyl-ethylamino]-4,6-dimethylchromen-2-one.

Molecular Properties

Compound Name7-[[3-[[3-[[3-[[3,5-bis[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenoxy]methyl]-5-(hydroxymethyl)phenyl]methoxy]-5-[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenyl]methyl-ethylamino]-4,6-dimethylchromen-2-one
PubChem CID101055832
Molecular FormulaC161H164N8O23
Molecular Weight2579.12 g/mol
Exact Mass2577.19
IUPAC Name7-[[3-[[3-[[3-[[3,5-bis[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenoxy]methyl]-5-(hydroxymethyl)phenyl]methoxy]-5-[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenyl]methyl-ethylamino]-4,6-dimethylchromen-2-one
SMILESCCN(Cc1cc(CN(CC)c2cc3oc(=O)cc(C)c3cc2C)cc(OCc2cc(COc3cc(CN(CC)c4cc5oc(=O)cc(C)c5cc4C)cc(CN(CC)c4cc5oc(=O)cc(C)c5cc4C)c3)cc(OCc3cc(CO)cc(COc4cc(COc5cc(CN(CC)c6cc7oc(=O)cc(C)c7cc6C)cc(CN(CC)c6cc7oc(=O)cc(C)c7cc6C)c5)cc(COc5cc(CN(CC)c6cc7oc(=O)cc(C)c7cc6C)cc(CN(CC)c6cc7oc(=O)cc(C)c7cc6C)c5)c4)c3)c2)c1)c1cc2oc(=O)cc(C)c2cc1C
InChIInChI=1S/C161H164N8O23/c1-25-162(138-70-146-130(33-101(138)17)93(9)41-154(171)185-146)78-109-49-110(79-163(26-2)139-71-147-131(34-102(139)18)94(10)42-155(172)186-147)59-124(58-109)181-89-120-56-121(90-182-125-60-111(80-164(27-3)140-72-148-132(35-103(140)19)95(11)43-156(173)187-148)50-112(61-125)81-165(28-4)141-73-149-133(36-104(141)20)96(12)44-157(174)188-149)67-128(66-120)179-87-118-53-117(86-170)54-119(55-118)88-180-129-68-122(91-183-126-62-113(82-166(29-5)142-74-150-134(37-105(142)21)97(13)45-158(175)189-150)51-114(63-126)83-167(30-6)143-75-151-135(38-106(143)22)98(14)46-159(176)190-151)57-123(69-129)92-184-127-64-115(84-168(31-7)144-76-152-136(39-107(144)23)99(15)47-160(177)191-152)52-116(65-127)85-169(32-8)145-77-153-137(40-108(145)24)100(16)48-161(178)192-153/h33-77,170H,25-32,78-92H2,1-24H3
InChIKeyCYAAOUVJOCEMNJ-UHFFFAOYSA-N
XLogP32.65
TPSA343.21 Ų
H-Bond Donors1
H-Bond Acceptors31
Rotatable Bonds51
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002579.12
LogP ≤ 532.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 7-[[3-[[3-[[3-[[3,5-bis[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenoxy]methyl]-5-(hydroxymethyl)phenyl]methoxy]-5-[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenyl]methyl-ethylamino]-4,6-dimethylchromen-2-one with MolForge

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Related Compounds

7-[[3-[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]-5-(hydroxymethyl)phenyl]methyl-ethylamino]-4,6-dimethylchromen-2-one
CID 100991403
7-(diethylamino)-4,6-dimethylchromen-2-one
CID 11736705
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
4-methyl-6,7-dipropoxychromen-2-one
CID 4914961
sodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid
CID 174050797
7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-4-methylchromen-2-one;hydrochloride
CID 122180434
7-(diethylamino)-4-[4-(hydroxymethyl)phenyl]chromen-2-one
CID 72546247
7-(diethylamino)-4-methylchromen-2-one sulfate
CID 23622381
7-(diethylamino)-5-methylchromen-2-one
CID 164804520
4-methyl-7-[(4-propan-2-ylphenyl)methoxy]chromen-2-one
CID 14798404
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
7-[(2-bromo-5-methoxyphenyl)methyl-ethylamino]-4-methylchromen-2-one
CID 134836131

Frequently Asked Questions

What is the IUPAC name of 7-[[3-[[3-[[3-[[3,5-bis[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenoxy]methyl]-5-(hydroxymethyl)phenyl]methoxy]-5-[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenyl]methyl-ethylamino]-4,6-dimethylchromen-2-one?
The IUPAC name of 7-[[3-[[3-[[3-[[3,5-bis[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenoxy]methyl]-5-(hydroxymethyl)phenyl]methoxy]-5-[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenyl]methyl-ethylamino]-4,6-dimethylchromen-2-one (CID 101055832) is 7-[[3-[[3-[[3-[[3,5-bis[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenoxy]methyl]-5-(hydroxymethyl)phenyl]methoxy]-5-[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenyl]methyl-ethylamino]-4,6-dimethylchromen-2-one.
What is the SMILES notation for 7-[[3-[[3-[[3-[[3,5-bis[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenoxy]methyl]-5-(hydroxymethyl)phenyl]methoxy]-5-[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenyl]methyl-ethylamino]-4,6-dimethylchromen-2-one?
The canonical SMILES for 7-[[3-[[3-[[3-[[3,5-bis[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenoxy]methyl]-5-(hydroxymethyl)phenyl]methoxy]-5-[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenyl]methyl-ethylamino]-4,6-dimethylchromen-2-one is CCN(Cc1cc(CN(CC)c2cc3oc(=O)cc(C)c3cc2C)cc(OCc2cc(COc3cc(CN(CC)c4cc5oc(=O)cc(C)c5cc4C)cc(CN(CC)c4cc5oc(=O)cc(C)c5cc4C)c3)cc(OCc3cc(CO)cc(COc4cc(COc5cc(CN(CC)c6cc7oc(=O)cc(C)c7cc6C)cc(CN(CC)c6cc7oc(=O)cc(C)c7cc6C)c5)cc(COc5cc(CN(CC)c6cc7oc(=O)cc(C)c7cc6C)cc(CN(CC)c6cc7oc(=O)cc(C)c7cc6C)c5)c4)c3)c2)c1)c1cc2oc(=O)cc(C)c2cc1C.
What is the InChIKey of 7-[[3-[[3-[[3-[[3,5-bis[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenoxy]methyl]-5-(hydroxymethyl)phenyl]methoxy]-5-[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenyl]methyl-ethylamino]-4,6-dimethylchromen-2-one?
The InChIKey is CYAAOUVJOCEMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C161H164N8O23/c1-25-162(138-70-146-130(33-101(138)17)93(9)41-154(171)185-146)78-109-49-110(79-163(26-2)139-71-147-131(34-102(139)18)94(10)42-155(172)186-147)59-124(58-109)181-89-120-56-121(90-182-125-60-111(80-164(27-3)140-72-148-132(35-103(140)19)95(11)43-156(173)187-148)50-112(61-125)81-165(28-4)141-73-149-133(36-104(141)20)96(12)44-157(174)188-149)67-128(66-120)179-87-118-53-117(86-170)54-119(55-118)88-180-129-68-122(91-183-126-62-113(82-166(29-5)142-74-150-134(37-105(142)21)97(13)45-158(175)189-150)51-114(63-126)83-167(30-6)143-75-151-135(38-106(143)22)98(14)46-159(176)190-151)57-123(69-129)92-184-127-64-115(84-168(31-7)144-76-152-136(39-107(144)23)99(15)47-160(177)191-152)52-116(65-127)85-169(32-8)145-77-153-137(40-108(145)24)100(16)48-161(178)192-153/h33-77,170H,25-32,78-92H2,1-24H3.
What are the key properties of 7-[[3-[[3-[[3-[[3,5-bis[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenoxy]methyl]-5-(hydroxymethyl)phenyl]methoxy]-5-[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenyl]methyl-ethylamino]-4,6-dimethylchromen-2-one?
7-[[3-[[3-[[3-[[3,5-bis[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenoxy]methyl]-5-(hydroxymethyl)phenyl]methoxy]-5-[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenyl]methyl-ethylamino]-4,6-dimethylchromen-2-one has a molecular weight of 2579.12 g/mol, XLogP of 32.65, 51 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-[[3-[[3-[[3,5-bis[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenoxy]methyl]-5-(hydroxymethyl)phenyl]methoxy]-5-[[3,5-bis[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenoxy]methyl]phenyl]methoxy]-5-[[(4,6-dimethyl-2-oxochromen-7-yl)-ethylamino]methyl]phenyl]methyl-ethylamino]-4,6-dimethylchromen-2-one is sourced from PubChem (CID 101055832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).