diaminomethylidene-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]azanium;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(3-methylphenyl)urea;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(4-methylphenyl)urea;1-[3-[1-(2-formyl-3-hydroxyphenoxy)ethyl]phenyl]-3-phenylurea

C123H100N9O15+ — CID 159283952

IUPACdiaminomethylidene-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]azanium;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(3-methylphenyl)urea;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(4-methylphenyl)urea;1-[3-[1-(2-formyl-3-hydroxyphenoxy)ethyl]phenyl]-3-phenylurea
SMILESCC(Oc1cccc(O)c1C=O)c1cccc(NC(=O)Nc2ccccc2)c1.Cc1ccc(NC(=O)Nc2cccc(COc3ccc4ccccc4c3-c3c(O)c(C=O)cc4ccccc34)c2)cc1.Cc1cccc(NC(=O)Nc2cccc(COc3ccc4ccccc4c3-c3c(O)c(C=O)cc4ccccc34)c2)c1.NC(N)=[NH+]c1cccc(COc2ccc3ccccc3c2-c2c(O)c(C=O)cc3ccccc23)c1
InChIInChI=1S/2C36H28N2O4.C29H23N3O3.C22H20N2O4/c1-23-8-6-12-28(18-23)37-36(41)38-29-13-7-9-24(19-29)22-42-32-17-16-25-10-2-4-14-30(25)33(32)34-31-15-5-3-11-26(31)20-27(21-39)35(34)40;1-23-13-16-28(17-14-23)37-36(41)38-29-10-6-7-24(19-29)22-42-32-18-15-25-8-2-4-11-30(25)33(32)34-31-12-5-3-9-26(31)20-27(21-39)35(34)40;30-29(31)32-22-9-5-6-18(14-22)17-35-25-13-12-19-7-1-3-10-23(19)26(25)27-24-11-4-2-8-20(24)15-21(16-33)28(27)34;1-15(28-21-12-6-11-20(26)19(21)14-25)16-7-5-10-18(13-16)24-22(27)23-17-8-3-2-4-9-17/h2*2-21,40H,22H2,1H3,(H2,37,38,41);1-16,34H,17H2,(H4,30,31,32);2-15,26H,1H3,(H2,23,24,27)/p+1
InChIKeyKZGRQBKYYZKNGJ-UHFFFAOYSA-O
MW1944.20 g/mol
LogP26.15
Rot. Bonds26

About diaminomethylidene-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]azanium;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(3-methylphenyl)urea;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(4-methylphenyl)urea;1-[3-[1-(2-formyl-3-hydroxyphenoxy)ethyl]phenyl]-3-phenylurea

diaminomethylidene-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]azanium;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(3-methylphenyl)urea;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(4-methylphenyl)urea;1-[3-[1-(2-formyl-3-hydroxyphenoxy)ethyl]phenyl]-3-phenylurea (PubChem CID 159283952) has the molecular formula C123H100N9O15+ and a molecular weight of 1944.20 g/mol. Its IUPAC name is diaminomethylidene-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]azanium;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(3-methylphenyl)urea;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(4-methylphenyl)urea;1-[3-[1-(2-formyl-3-hydroxyphenoxy)ethyl]phenyl]-3-phenylurea.

Molecular Properties

Compound Namediaminomethylidene-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]azanium;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(3-methylphenyl)urea;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(4-methylphenyl)urea;1-[3-[1-(2-formyl-3-hydroxyphenoxy)ethyl]phenyl]-3-phenylurea
PubChem CID159283952
Molecular FormulaC123H100N9O15+
Molecular Weight1944.20 g/mol
Exact Mass1942.73
IUPAC Namediaminomethylidene-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]azanium;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(3-methylphenyl)urea;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(4-methylphenyl)urea;1-[3-[1-(2-formyl-3-hydroxyphenoxy)ethyl]phenyl]-3-phenylurea
SMILESCC(Oc1cccc(O)c1C=O)c1cccc(NC(=O)Nc2ccccc2)c1.Cc1ccc(NC(=O)Nc2cccc(COc3ccc4ccccc4c3-c3c(O)c(C=O)cc4ccccc34)c2)cc1.Cc1cccc(NC(=O)Nc2cccc(COc3ccc4ccccc4c3-c3c(O)c(C=O)cc4ccccc34)c2)c1.NC(N)=[NH+]c1cccc(COc2ccc3ccccc3c2-c2c(O)c(C=O)cc3ccccc23)c1
InChIInChI=1S/2C36H28N2O4.C29H23N3O3.C22H20N2O4/c1-23-8-6-12-28(18-23)37-36(41)38-29-13-7-9-24(19-29)22-42-32-17-16-25-10-2-4-14-30(25)33(32)34-31-15-5-3-11-26(31)20-27(21-39)35(34)40;1-23-13-16-28(17-14-23)37-36(41)38-29-10-6-7-24(19-29)22-42-32-18-15-25-8-2-4-11-30(25)33(32)34-31-12-5-3-9-26(31)20-27(21-39)35(34)40;30-29(31)32-22-9-5-6-18(14-22)17-35-25-13-12-19-7-1-3-10-23(19)26(25)27-24-11-4-2-8-20(24)15-21(16-33)28(27)34;1-15(28-21-12-6-11-20(26)19(21)14-25)16-7-5-10-18(13-16)24-22(27)23-17-8-3-2-4-9-17/h2*2-21,40H,22H2,1H3,(H2,37,38,41);1-16,34H,17H2,(H4,30,31,32);2-15,26H,1H3,(H2,23,24,27)/p+1
InChIKeyKZGRQBKYYZKNGJ-UHFFFAOYSA-O
XLogP26.15
TPSA375.52 Ų
H-Bond Donors13
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001944.20
LogP ≤ 526.15
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze diaminomethylidene-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]azanium;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(3-methylphenyl)urea;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(4-methylphenyl)urea;1-[3-[1-(2-formyl-3-hydroxyphenoxy)ethyl]phenyl]-3-phenylurea with MolForge

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Related Compounds

1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(4-methylphenyl)urea
CID 58058387
N-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-1H-pyrrole-2-carboxamide
CID 102033418
2-[(3-methylphenyl)methoxy]-1-phenylnaphthalene
CID 132584959
3-hydroxy-4-[2-[hydroxy(phenyl)methyl]naphthalen-1-yl]naphthalene-2-carbaldehyde
CID 132942599
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
ethane;1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 144571774
1-bromo-2-[(3-methylphenyl)methoxy]naphthalene
CID 60623253
(2S)-N-(4-bromophenyl)-2-(1-formylnaphthalen-2-yl)oxypropanamide
CID 7763312
2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998
1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea
CID 43245991
N-(3-methylphenyl)-3,4,5-tris(phenylmethoxy)benzamide
CID 122498346
(2S)-2-(2-formylphenoxy)-N-naphthalen-2-ylpropanamide
CID 7762913

Frequently Asked Questions

What is the IUPAC name of diaminomethylidene-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]azanium;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(3-methylphenyl)urea;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(4-methylphenyl)urea;1-[3-[1-(2-formyl-3-hydroxyphenoxy)ethyl]phenyl]-3-phenylurea?
The IUPAC name of diaminomethylidene-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]azanium;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(3-methylphenyl)urea;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(4-methylphenyl)urea;1-[3-[1-(2-formyl-3-hydroxyphenoxy)ethyl]phenyl]-3-phenylurea (CID 159283952) is diaminomethylidene-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]azanium;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(3-methylphenyl)urea;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(4-methylphenyl)urea;1-[3-[1-(2-formyl-3-hydroxyphenoxy)ethyl]phenyl]-3-phenylurea.
What is the SMILES notation for diaminomethylidene-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]azanium;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(3-methylphenyl)urea;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(4-methylphenyl)urea;1-[3-[1-(2-formyl-3-hydroxyphenoxy)ethyl]phenyl]-3-phenylurea?
The canonical SMILES for diaminomethylidene-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]azanium;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(3-methylphenyl)urea;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(4-methylphenyl)urea;1-[3-[1-(2-formyl-3-hydroxyphenoxy)ethyl]phenyl]-3-phenylurea is CC(Oc1cccc(O)c1C=O)c1cccc(NC(=O)Nc2ccccc2)c1.Cc1ccc(NC(=O)Nc2cccc(COc3ccc4ccccc4c3-c3c(O)c(C=O)cc4ccccc34)c2)cc1.Cc1cccc(NC(=O)Nc2cccc(COc3ccc4ccccc4c3-c3c(O)c(C=O)cc4ccccc34)c2)c1.NC(N)=[NH+]c1cccc(COc2ccc3ccccc3c2-c2c(O)c(C=O)cc3ccccc23)c1.
What is the InChIKey of diaminomethylidene-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]azanium;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(3-methylphenyl)urea;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(4-methylphenyl)urea;1-[3-[1-(2-formyl-3-hydroxyphenoxy)ethyl]phenyl]-3-phenylurea?
The InChIKey is KZGRQBKYYZKNGJ-UHFFFAOYSA-O. The full InChI is InChI=1S/2C36H28N2O4.C29H23N3O3.C22H20N2O4/c1-23-8-6-12-28(18-23)37-36(41)38-29-13-7-9-24(19-29)22-42-32-17-16-25-10-2-4-14-30(25)33(32)34-31-15-5-3-11-26(31)20-27(21-39)35(34)40;1-23-13-16-28(17-14-23)37-36(41)38-29-10-6-7-24(19-29)22-42-32-18-15-25-8-2-4-11-30(25)33(32)34-31-12-5-3-9-26(31)20-27(21-39)35(34)40;30-29(31)32-22-9-5-6-18(14-22)17-35-25-13-12-19-7-1-3-10-23(19)26(25)27-24-11-4-2-8-20(24)15-21(16-33)28(27)34;1-15(28-21-12-6-11-20(26)19(21)14-25)16-7-5-10-18(13-16)24-22(27)23-17-8-3-2-4-9-17/h2*2-21,40H,22H2,1H3,(H2,37,38,41);1-16,34H,17H2,(H4,30,31,32);2-15,26H,1H3,(H2,23,24,27)/p+1.
What are the key properties of diaminomethylidene-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]azanium;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(3-methylphenyl)urea;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(4-methylphenyl)urea;1-[3-[1-(2-formyl-3-hydroxyphenoxy)ethyl]phenyl]-3-phenylurea?
diaminomethylidene-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]azanium;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(3-methylphenyl)urea;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(4-methylphenyl)urea;1-[3-[1-(2-formyl-3-hydroxyphenoxy)ethyl]phenyl]-3-phenylurea has a molecular weight of 1944.20 g/mol, XLogP of 26.15, 26 rotatable bonds, 13 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylidene-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]azanium;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(3-methylphenyl)urea;1-[3-[[1-(3-formyl-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxymethyl]phenyl]-3-(4-methylphenyl)urea;1-[3-[1-(2-formyl-3-hydroxyphenoxy)ethyl]phenyl]-3-phenylurea is sourced from PubChem (CID 159283952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).