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

C154H130N18O18 — CID 167662278

IUPAC4-[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
SMILESNNC(=O)c1ccc(-c2cc(-c3ccc(C(=O)NN)c(OCc4ccccc4)c3)c3ccc4c(-c5ccc(C(=O)NN)c(OCc6ccccc6)c5)cc(-c5ccc(C(=O)NN)c(OCc6ccccc6)c5)c5ccc2c3c54)cc1OCc1ccccc1.NNC(=O)c1ccc(-c2cc(-c3ccc(C(=O)NN)c(OCc4ccccc4)c3)cc(-c3ccc(C(=O)NN)c(OCc4ccccc4)c3)c2)cc1OCc1ccccc1.NNC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)NN)c(OCc4ccccc4)c3)cc2)cc1OCc1ccccc1
InChIInChI=1S/C72H58N8O8.C48H42N6O6.C34H30N4O4/c73-77-69(81)55-25-21-47(33-63(55)85-39-43-13-5-1-6-14-43)59-37-60(48-22-26-56(70(82)78-74)64(34-48)86-40-44-15-7-2-8-16-44)52-31-32-54-62(50-24-28-58(72(84)80-76)66(36-50)88-42-46-19-11-4-12-20-46)38-61(53-30-29-51(59)67(52)68(53)54)49-23-27-57(71(83)79-75)65(35-49)87-41-45-17-9-3-10-18-45;49-52-46(55)40-19-16-34(25-43(40)58-28-31-10-4-1-5-11-31)37-22-38(35-17-20-41(47(56)53-50)44(26-35)59-29-32-12-6-2-7-13-32)24-39(23-37)36-18-21-42(48(57)54-51)45(27-36)60-30-33-14-8-3-9-15-33;35-37-33(39)29-17-15-27(19-31(29)41-21-23-7-3-1-4-8-23)25-11-13-26(14-12-25)28-16-18-30(34(40)38-36)32(20-28)42-22-24-9-5-2-6-10-24/h1-38H,39-42,73-76H2,(H,77,81)(H,78,82)(H,79,83)(H,80,84);1-27H,28-30,49-51H2,(H,52,55)(H,53,56)(H,54,57);1-20H,21-22,35-36H2,(H,37,39)(H,38,40)
InChIKeySCSZRRJWSFFIRB-UHFFFAOYSA-N
MW2520.84 g/mol
LogP24.60
Rot. Bonds45

About 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

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 (PubChem CID 167662278) has the molecular formula C154H130N18O18 and a molecular weight of 2520.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID167662278
Molecular FormulaC154H130N18O18
Molecular Weight2520.84 g/mol
Exact Mass2518.98
IUPAC Name4-[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
SMILESNNC(=O)c1ccc(-c2cc(-c3ccc(C(=O)NN)c(OCc4ccccc4)c3)c3ccc4c(-c5ccc(C(=O)NN)c(OCc6ccccc6)c5)cc(-c5ccc(C(=O)NN)c(OCc6ccccc6)c5)c5ccc2c3c54)cc1OCc1ccccc1.NNC(=O)c1ccc(-c2cc(-c3ccc(C(=O)NN)c(OCc4ccccc4)c3)cc(-c3ccc(C(=O)NN)c(OCc4ccccc4)c3)c2)cc1OCc1ccccc1.NNC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)NN)c(OCc4ccccc4)c3)cc2)cc1OCc1ccccc1
InChIInChI=1S/C72H58N8O8.C48H42N6O6.C34H30N4O4/c73-77-69(81)55-25-21-47(33-63(55)85-39-43-13-5-1-6-14-43)59-37-60(48-22-26-56(70(82)78-74)64(34-48)86-40-44-15-7-2-8-16-44)52-31-32-54-62(50-24-28-58(72(84)80-76)66(36-50)88-42-46-19-11-4-12-20-46)38-61(53-30-29-51(59)67(52)68(53)54)49-23-27-57(71(83)79-75)65(35-49)87-41-45-17-9-3-10-18-45;49-52-46(55)40-19-16-34(25-43(40)58-28-31-10-4-1-5-11-31)37-22-38(35-17-20-41(47(56)53-50)44(26-35)59-29-32-12-6-2-7-13-32)24-39(23-37)36-18-21-42(48(57)54-51)45(27-36)60-30-33-14-8-3-9-15-33;35-37-33(39)29-17-15-27(19-31(29)41-21-23-7-3-1-4-8-23)25-11-13-26(14-12-25)28-16-18-30(34(40)38-36)32(20-28)42-22-24-9-5-2-6-10-24/h1-38H,39-42,73-76H2,(H,77,81)(H,78,82)(H,79,83)(H,80,84);1-27H,28-30,49-51H2,(H,52,55)(H,53,56)(H,54,57);1-20H,21-22,35-36H2,(H,37,39)(H,38,40)
InChIKeySCSZRRJWSFFIRB-UHFFFAOYSA-N
XLogP24.60
TPSA579.15 Ų
H-Bond Donors18
H-Bond Acceptors27
Rotatable Bonds45
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002520.84
LogP ≤ 524.60
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1027

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': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide
CID 155221310
methyl 4-(4-ethynylphenyl)-2-phenylmethoxybenzoate
CID 171662673
2-phenylmethoxy-N,4-dipyridin-4-ylbenzamide
CID 135143390
1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone
CID 171037801
2-phenylmethoxy-4-(1H-pyrazol-4-yl)benzamide
CID 68761090
4-[(4-phenylphenoxy)methyl]benzohydrazide
CID 2368822
2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid
CID 53228660
2-phenylmethoxy-4-pyridin-3-ylbenzoic acid
CID 66989978
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684
benzyl 4-chloro-2-phenylmethoxybenzoate
CID 66989997
2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171921767

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is NNC(=O)c1ccc(-c2cc(-c3ccc(C(=O)NN)c(OCc4ccccc4)c3)c3ccc4c(-c5ccc(C(=O)NN)c(OCc6ccccc6)c5)cc(-c5ccc(C(=O)NN)c(OCc6ccccc6)c5)c5ccc2c3c54)cc1OCc1ccccc1.NNC(=O)c1ccc(-c2cc(-c3ccc(C(=O)NN)c(OCc4ccccc4)c3)cc(-c3ccc(C(=O)NN)c(OCc4ccccc4)c3)c2)cc1OCc1ccccc1.NNC(=O)c1ccc(-c2ccc(-c3ccc(C(=O)NN)c(OCc4ccccc4)c3)cc2)cc1OCc1ccccc1.
What is the InChIKey of 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?
The InChIKey is SCSZRRJWSFFIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H58N8O8.C48H42N6O6.C34H30N4O4/c73-77-69(81)55-25-21-47(33-63(55)85-39-43-13-5-1-6-14-43)59-37-60(48-22-26-56(70(82)78-74)64(34-48)86-40-44-15-7-2-8-16-44)52-31-32-54-62(50-24-28-58(72(84)80-76)66(36-50)88-42-46-19-11-4-12-20-46)38-61(53-30-29-51(59)67(52)68(53)54)49-23-27-57(71(83)79-75)65(35-49)87-41-45-17-9-3-10-18-45;49-52-46(55)40-19-16-34(25-43(40)58-28-31-10-4-1-5-11-31)37-22-38(35-17-20-41(47(56)53-50)44(26-35)59-29-32-12-6-2-7-13-32)24-39(23-37)36-18-21-42(48(57)54-51)45(27-36)60-30-33-14-8-3-9-15-33;35-37-33(39)29-17-15-27(19-31(29)41-21-23-7-3-1-4-8-23)25-11-13-26(14-12-25)28-16-18-30(34(40)38-36)32(20-28)42-22-24-9-5-2-6-10-24/h1-38H,39-42,73-76H2,(H,77,81)(H,78,82)(H,79,83)(H,80,84);1-27H,28-30,49-51H2,(H,52,55)(H,53,56)(H,54,57);1-20H,21-22,35-36H2,(H,37,39)(H,38,40).
What are the key properties of 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?
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 has a molecular weight of 2520.84 g/mol, XLogP of 24.60, 45 rotatable bonds, 18 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167662278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).