2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide;4-[2-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]ethynyl]-2-phenylmethoxybenzohydrazide;4-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]-2-phenylmethoxybenzohydrazide

C80H74N12O12 — CID 167560390

IUPAC2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide;4-[2-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]ethynyl]-2-phenylmethoxybenzohydrazide;4-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]-2-phenylmethoxybenzohydrazide
SMILESNNC(=O)c1cc(OCc2ccccc2)c(C(=O)NN)cc1OCc1ccccc1.NNC(=O)c1ccc(-c2ccc(C(=O)NN)c(OCc3ccccc3)c2)cc1OCc1ccccc1.NNC(=O)c1ccc(C#Cc2ccc(C(=O)NN)c(OCc3ccccc3)c2)cc1OCc1ccccc1
InChIInChI=1S/C30H26N4O4.C28H26N4O4.C22H22N4O4/c31-33-29(35)25-15-13-21(17-27(25)37-19-23-7-3-1-4-8-23)11-12-22-14-16-26(30(36)34-32)28(18-22)38-20-24-9-5-2-6-10-24;29-31-27(33)23-13-11-21(15-25(23)35-17-19-7-3-1-4-8-19)22-12-14-24(28(34)32-30)26(16-22)36-18-20-9-5-2-6-10-20;23-25-21(27)17-12-20(30-14-16-9-5-2-6-10-16)18(22(28)26-24)11-19(17)29-13-15-7-3-1-4-8-15/h1-10,13-18H,19-20,31-32H2,(H,33,35)(H,34,36);1-16H,17-18,29-30H2,(H,31,33)(H,32,34);1-12H,13-14,23-24H2,(H,25,27)(H,26,28)
InChIKeyDORKZTNHWXWKKV-UHFFFAOYSA-N
MW1395.54 g/mol
LogP9.22
Rot. Bonds25

About 2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide;4-[2-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]ethynyl]-2-phenylmethoxybenzohydrazide;4-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]-2-phenylmethoxybenzohydrazide

2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide;4-[2-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]ethynyl]-2-phenylmethoxybenzohydrazide;4-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]-2-phenylmethoxybenzohydrazide (PubChem CID 167560390) has the molecular formula C80H74N12O12 and a molecular weight of 1395.54 g/mol. Its IUPAC name is 2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide;4-[2-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]ethynyl]-2-phenylmethoxybenzohydrazide;4-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]-2-phenylmethoxybenzohydrazide.

Molecular Properties

Compound Name2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide;4-[2-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]ethynyl]-2-phenylmethoxybenzohydrazide;4-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]-2-phenylmethoxybenzohydrazide
PubChem CID167560390
Molecular FormulaC80H74N12O12
Molecular Weight1395.54 g/mol
Exact Mass1394.55
IUPAC Name2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide;4-[2-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]ethynyl]-2-phenylmethoxybenzohydrazide;4-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]-2-phenylmethoxybenzohydrazide
SMILESNNC(=O)c1cc(OCc2ccccc2)c(C(=O)NN)cc1OCc1ccccc1.NNC(=O)c1ccc(-c2ccc(C(=O)NN)c(OCc3ccccc3)c2)cc1OCc1ccccc1.NNC(=O)c1ccc(C#Cc2ccc(C(=O)NN)c(OCc3ccccc3)c2)cc1OCc1ccccc1
InChIInChI=1S/C30H26N4O4.C28H26N4O4.C22H22N4O4/c31-33-29(35)25-15-13-21(17-27(25)37-19-23-7-3-1-4-8-23)11-12-22-14-16-26(30(36)34-32)28(18-22)38-20-24-9-5-2-6-10-24;29-31-27(33)23-13-11-21(15-25(23)35-17-19-7-3-1-4-8-19)22-12-14-24(28(34)32-30)26(16-22)36-18-20-9-5-2-6-10-20;23-25-21(27)17-12-20(30-14-16-9-5-2-6-10-16)18(22(28)26-24)11-19(17)29-13-15-7-3-1-4-8-15/h1-10,13-18H,19-20,31-32H2,(H,33,35)(H,34,36);1-16H,17-18,29-30H2,(H,31,33)(H,32,34);1-12H,13-14,23-24H2,(H,25,27)(H,26,28)
InChIKeyDORKZTNHWXWKKV-UHFFFAOYSA-N
XLogP9.22
TPSA386.10 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds25
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001395.54
LogP ≤ 59.22
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide;4-[2-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]ethynyl]-2-phenylmethoxybenzohydrazide;4-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]-2-phenylmethoxybenzohydrazide with MolForge

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Related Compounds

2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide
CID 155221310
4-[3,5-bis[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]phenyl]-2-phenylmethoxybenzohydrazide;4-[4-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]phenyl]-2-phenylmethoxybenzohydrazide;2-phenylmethoxy-4-[3,6,8-tris[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]pyren-1-yl]benzohydrazide
CID 167662278
4-[2-[4-(hydrazinecarbonyl)-3-propoxyphenyl]ethynyl]-2-propoxybenzohydrazide
CID 155213251
methyl 4-(4-ethynylphenyl)-2-phenylmethoxybenzoate
CID 171662673
2-phenylmethoxy-N,4-dipyridin-4-ylbenzamide
CID 135143390
methyl 2-hydroxy-4-[2-(4-phenylmethoxyphenyl)ethynyl]benzoate
CID 70231054
2-phenylmethoxy-4-(1H-pyrazol-4-yl)benzamide
CID 68761090
4-[(4-phenylphenoxy)methyl]benzohydrazide
CID 2368822
2-phenylmethoxy-4-pyridin-3-ylbenzoic acid
CID 66989978
N-(2,6-dimethylphenyl)-4-(1-methylpyrazol-4-yl)-2-phenylmethoxybenzamide
CID 135143780
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684
3-bromo-4-phenylmethoxybenzohydrazide
CID 54793170

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide;4-[2-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]ethynyl]-2-phenylmethoxybenzohydrazide;4-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]-2-phenylmethoxybenzohydrazide?
The IUPAC name of 2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide;4-[2-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]ethynyl]-2-phenylmethoxybenzohydrazide;4-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]-2-phenylmethoxybenzohydrazide (CID 167560390) is 2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide;4-[2-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]ethynyl]-2-phenylmethoxybenzohydrazide;4-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]-2-phenylmethoxybenzohydrazide.
What is the SMILES notation for 2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide;4-[2-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]ethynyl]-2-phenylmethoxybenzohydrazide;4-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]-2-phenylmethoxybenzohydrazide?
The canonical SMILES for 2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide;4-[2-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]ethynyl]-2-phenylmethoxybenzohydrazide;4-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]-2-phenylmethoxybenzohydrazide is NNC(=O)c1cc(OCc2ccccc2)c(C(=O)NN)cc1OCc1ccccc1.NNC(=O)c1ccc(-c2ccc(C(=O)NN)c(OCc3ccccc3)c2)cc1OCc1ccccc1.NNC(=O)c1ccc(C#Cc2ccc(C(=O)NN)c(OCc3ccccc3)c2)cc1OCc1ccccc1.
What is the InChIKey of 2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide;4-[2-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]ethynyl]-2-phenylmethoxybenzohydrazide;4-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]-2-phenylmethoxybenzohydrazide?
The InChIKey is DORKZTNHWXWKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O4.C28H26N4O4.C22H22N4O4/c31-33-29(35)25-15-13-21(17-27(25)37-19-23-7-3-1-4-8-23)11-12-22-14-16-26(30(36)34-32)28(18-22)38-20-24-9-5-2-6-10-24;29-31-27(33)23-13-11-21(15-25(23)35-17-19-7-3-1-4-8-19)22-12-14-24(28(34)32-30)26(16-22)36-18-20-9-5-2-6-10-20;23-25-21(27)17-12-20(30-14-16-9-5-2-6-10-16)18(22(28)26-24)11-19(17)29-13-15-7-3-1-4-8-15/h1-10,13-18H,19-20,31-32H2,(H,33,35)(H,34,36);1-16H,17-18,29-30H2,(H,31,33)(H,32,34);1-12H,13-14,23-24H2,(H,25,27)(H,26,28).
What are the key properties of 2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide;4-[2-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]ethynyl]-2-phenylmethoxybenzohydrazide;4-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]-2-phenylmethoxybenzohydrazide?
2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide;4-[2-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]ethynyl]-2-phenylmethoxybenzohydrazide;4-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]-2-phenylmethoxybenzohydrazide has a molecular weight of 1395.54 g/mol, XLogP of 9.22, 25 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide;4-[2-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]ethynyl]-2-phenylmethoxybenzohydrazide;4-[4-(hydrazinecarbonyl)-3-phenylmethoxyphenyl]-2-phenylmethoxybenzohydrazide is sourced from PubChem (CID 167560390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).