[4-[1-[2-[4-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]benzoyl]phenoxy]naphthalen-1-yl]naphthalen-2-yl]oxyphenyl]-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]methanone

C72H48N2O8 — CID 101143931

IUPAC[4-[1-[2-[4-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]benzoyl]phenoxy]naphthalen-1-yl]naphthalen-2-yl]oxyphenyl]-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ccc(/N=C/c3ccc(O)cc3)cc2)cc1)c1ccc(Oc2ccc3ccccc3c2-c2c(Oc3ccc(C(=O)c4ccc(Oc5ccc(/N=C/c6ccc(O)cc6)cc5)cc4)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C72H48N2O8/c75-57-27-9-47(10-28-57)45-73-55-23-39-61(40-24-55)79-59-31-13-51(14-32-59)71(77)53-17-35-63(36-18-53)81-67-43-21-49-5-1-3-7-65(49)69(67)70-66-8-4-2-6-50(66)22-44-68(70)82-64-37-19-54(20-38-64)72(78)52-15-33-60(34-16-52)80-62-41-25-56(26-42-62)74-46-48-11-29-58(76)30-12-48/h1-46,75-76H/b73-45+,74-46+
InChIKeyYDOVLHBWZOEPFJ-DUZYZXLKSA-N
MW1069.18 g/mol
LogP18.20
Rot. Bonds17

About [4-[1-[2-[4-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]benzoyl]phenoxy]naphthalen-1-yl]naphthalen-2-yl]oxyphenyl]-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]methanone

[4-[1-[2-[4-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]benzoyl]phenoxy]naphthalen-1-yl]naphthalen-2-yl]oxyphenyl]-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]methanone (PubChem CID 101143931) has the molecular formula C72H48N2O8 and a molecular weight of 1069.18 g/mol. Its IUPAC name is [4-[1-[2-[4-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]benzoyl]phenoxy]naphthalen-1-yl]naphthalen-2-yl]oxyphenyl]-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]methanone.

Molecular Properties

Compound Name[4-[1-[2-[4-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]benzoyl]phenoxy]naphthalen-1-yl]naphthalen-2-yl]oxyphenyl]-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]methanone
PubChem CID101143931
Molecular FormulaC72H48N2O8
Molecular Weight1069.18 g/mol
Exact Mass1068.34
IUPAC Name[4-[1-[2-[4-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]benzoyl]phenoxy]naphthalen-1-yl]naphthalen-2-yl]oxyphenyl]-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]methanone
SMILESO=C(c1ccc(Oc2ccc(/N=C/c3ccc(O)cc3)cc2)cc1)c1ccc(Oc2ccc3ccccc3c2-c2c(Oc3ccc(C(=O)c4ccc(Oc5ccc(/N=C/c6ccc(O)cc6)cc5)cc4)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C72H48N2O8/c75-57-27-9-47(10-28-57)45-73-55-23-39-61(40-24-55)79-59-31-13-51(14-32-59)71(77)53-17-35-63(36-18-53)81-67-43-21-49-5-1-3-7-65(49)69(67)70-66-8-4-2-6-50(66)22-44-68(70)82-64-37-19-54(20-38-64)72(78)52-15-33-60(34-16-52)80-62-41-25-56(26-42-62)74-46-48-11-29-58(76)30-12-48/h1-46,75-76H/b73-45+,74-46+
InChIKeyYDOVLHBWZOEPFJ-DUZYZXLKSA-N
XLogP18.20
TPSA136.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.18
LogP ≤ 518.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [4-[1-[2-[4-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]benzoyl]phenoxy]naphthalen-1-yl]naphthalen-2-yl]oxyphenyl]-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]methanone with MolForge

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Related Compounds

[4-[(4-hydroxyphenyl)iminomethyl]phenyl] 4-hydroxybenzoate
CID 102453857
bis(carbonochloridic acid);4-[1-[2-(4-carbonochloridoylphenoxy)naphthalen-1-yl]naphthalen-2-yl]oxybenzoyl chloride
CID 23064662
1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol
CID 4545567
4-[(4-hydroxyphenyl)methylideneamino]benzoic acid
CID 2306645
bis[4-[(4-hydroxyphenyl)iminomethyl]phenyl] propanedioate
CID 171770387
4-(naphthalen-2-ylmethylideneamino)benzoic acid
CID 71359398
1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126222826
4-(naphthalen-2-ylmethylideneamino)benzamide
CID 791141
1-(4-phenoxyphenyl)-N-phenylmethanimine
CID 690951
(4-hydroxyphenyl)-[4-[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]benzoyl]phenyl]methanone
CID 140957067
[4-(4-hydroxyphenoxy)phenyl]-(3-hydroxyphenyl)methanone
CID 86171733
[4-[(4-bromophenyl)iminomethyl]phenyl] naphthalene-1-carboxylate
CID 4518854

Frequently Asked Questions

What is the IUPAC name of [4-[1-[2-[4-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]benzoyl]phenoxy]naphthalen-1-yl]naphthalen-2-yl]oxyphenyl]-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]methanone?
The IUPAC name of [4-[1-[2-[4-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]benzoyl]phenoxy]naphthalen-1-yl]naphthalen-2-yl]oxyphenyl]-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]methanone (CID 101143931) is [4-[1-[2-[4-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]benzoyl]phenoxy]naphthalen-1-yl]naphthalen-2-yl]oxyphenyl]-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]methanone.
What is the SMILES notation for [4-[1-[2-[4-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]benzoyl]phenoxy]naphthalen-1-yl]naphthalen-2-yl]oxyphenyl]-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]methanone?
The canonical SMILES for [4-[1-[2-[4-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]benzoyl]phenoxy]naphthalen-1-yl]naphthalen-2-yl]oxyphenyl]-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]methanone is O=C(c1ccc(Oc2ccc(/N=C/c3ccc(O)cc3)cc2)cc1)c1ccc(Oc2ccc3ccccc3c2-c2c(Oc3ccc(C(=O)c4ccc(Oc5ccc(/N=C/c6ccc(O)cc6)cc5)cc4)cc3)ccc3ccccc23)cc1.
What is the InChIKey of [4-[1-[2-[4-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]benzoyl]phenoxy]naphthalen-1-yl]naphthalen-2-yl]oxyphenyl]-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]methanone?
The InChIKey is YDOVLHBWZOEPFJ-DUZYZXLKSA-N. The full InChI is InChI=1S/C72H48N2O8/c75-57-27-9-47(10-28-57)45-73-55-23-39-61(40-24-55)79-59-31-13-51(14-32-59)71(77)53-17-35-63(36-18-53)81-67-43-21-49-5-1-3-7-65(49)69(67)70-66-8-4-2-6-50(66)22-44-68(70)82-64-37-19-54(20-38-64)72(78)52-15-33-60(34-16-52)80-62-41-25-56(26-42-62)74-46-48-11-29-58(76)30-12-48/h1-46,75-76H/b73-45+,74-46+.
What are the key properties of [4-[1-[2-[4-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]benzoyl]phenoxy]naphthalen-1-yl]naphthalen-2-yl]oxyphenyl]-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]methanone?
[4-[1-[2-[4-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]benzoyl]phenoxy]naphthalen-1-yl]naphthalen-2-yl]oxyphenyl]-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]methanone has a molecular weight of 1069.18 g/mol, XLogP of 18.20, 17 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[2-[4-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]benzoyl]phenoxy]naphthalen-1-yl]naphthalen-2-yl]oxyphenyl]-[4-[4-[(4-hydroxyphenyl)methylideneamino]phenoxy]phenyl]methanone is sourced from PubChem (CID 101143931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).