2-[3-[3-[(Z,3E)-3-hydrazinylidene-1,3-diphenylprop-1-enyl]phenyl]phenyl]-6-[3-[(Z)-3-imino-1,3-diphenylprop-1-enyl]phenyl]dibenzofuran-3-ol

C60H43N3O2 — CID 143904594

IUPAC2-[3-[3-[(Z,3E)-3-hydrazinylidene-1,3-diphenylprop-1-enyl]phenyl]phenyl]-6-[3-[(Z)-3-imino-1,3-diphenylprop-1-enyl]phenyl]dibenzofuran-3-ol
SMILES[H]/N=C(/C=C(/c1ccccc1)c1cccc(-c2cccc3c2oc2cc(O)c(-c4cccc(-c5cccc(/C(=C\C(=N/N)c6ccccc6)c6ccccc6)c5)c4)cc23)c1)c1ccccc1
InChIInChI=1S/C60H43N3O2/c61-56(42-21-9-3-10-22-42)37-52(40-17-5-1-6-18-40)48-29-15-27-46(35-48)50-31-16-32-51-55-36-54(58(64)39-59(55)65-60(50)51)49-30-14-26-45(34-49)44-25-13-28-47(33-44)53(41-19-7-2-8-20-41)38-57(63-62)43-23-11-4-12-24-43/h1-39,61,64H,62H2/b52-37-,53-38-,61-56-,63-57+
InChIKeyXLMMVRMYYVUTFF-FFFAGQTJSA-N
MW838.02 g/mol
LogP14.59
Rot. Bonds11

About 2-[3-[3-[(Z,3E)-3-hydrazinylidene-1,3-diphenylprop-1-enyl]phenyl]phenyl]-6-[3-[(Z)-3-imino-1,3-diphenylprop-1-enyl]phenyl]dibenzofuran-3-ol

2-[3-[3-[(Z,3E)-3-hydrazinylidene-1,3-diphenylprop-1-enyl]phenyl]phenyl]-6-[3-[(Z)-3-imino-1,3-diphenylprop-1-enyl]phenyl]dibenzofuran-3-ol (PubChem CID 143904594) has the molecular formula C60H43N3O2 and a molecular weight of 838.02 g/mol. Its IUPAC name is 2-[3-[3-[(Z,3E)-3-hydrazinylidene-1,3-diphenylprop-1-enyl]phenyl]phenyl]-6-[3-[(Z)-3-imino-1,3-diphenylprop-1-enyl]phenyl]dibenzofuran-3-ol.

Molecular Properties

Compound Name2-[3-[3-[(Z,3E)-3-hydrazinylidene-1,3-diphenylprop-1-enyl]phenyl]phenyl]-6-[3-[(Z)-3-imino-1,3-diphenylprop-1-enyl]phenyl]dibenzofuran-3-ol
PubChem CID143904594
Molecular FormulaC60H43N3O2
Molecular Weight838.02 g/mol
Exact Mass837.34
IUPAC Name2-[3-[3-[(Z,3E)-3-hydrazinylidene-1,3-diphenylprop-1-enyl]phenyl]phenyl]-6-[3-[(Z)-3-imino-1,3-diphenylprop-1-enyl]phenyl]dibenzofuran-3-ol
SMILES[H]/N=C(/C=C(/c1ccccc1)c1cccc(-c2cccc3c2oc2cc(O)c(-c4cccc(-c5cccc(/C(=C\C(=N/N)c6ccccc6)c6ccccc6)c5)c4)cc23)c1)c1ccccc1
InChIInChI=1S/C60H43N3O2/c61-56(42-21-9-3-10-22-42)37-52(40-17-5-1-6-18-40)48-29-15-27-46(35-48)50-31-16-32-51-55-36-54(58(64)39-59(55)65-60(50)51)49-30-14-26-45(34-49)44-25-13-28-47(33-44)53(41-19-7-2-8-20-41)38-57(63-62)43-23-11-4-12-24-43/h1-39,61,64H,62H2/b52-37-,53-38-,61-56-,63-57+
InChIKeyXLMMVRMYYVUTFF-FFFAGQTJSA-N
XLogP14.59
TPSA95.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.02
LogP ≤ 514.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-(3-phenylphenyl)dibenzofuran-1-ol
CID 155038866
6-[3-(3-chlorophenyl)phenyl]-2,3-diphenyldibenzofuran
CID 170551343
benzene;(Z)-3-imino-3-phenyl-1-[3-[3-(21-thiapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-yl)phenyl]phenyl]prop-1-en-1-amine
CID 142293873
N-[(3-dibenzofuran-4-ylphenyl)methylidene]-N'-(3-phenylbenzenecarboximidoyl)dibenzofuran-1-carboximidamide
CID 176837498
N-[(benzylideneamino)-(3,5-diphenylphenyl)methylidene]-6-phenyldibenzofuran-4-carboximidamide
CID 176837504
2,4-diphenyl-6-[3-[8-(3-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 118651034
2,4-diphenyl-6-[6-[3-(4-phenylphenyl)phenyl]dibenzofuran-2-yl]-1,3,5-triazine
CID 166952873
2-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146431469
4-[3-[4-[bis(4-phenylphenyl)methyl]phenyl]phenyl]dibenzofuran
CID 168845323
(E)-1-[3-(3-naphtho[2,3-b][1]benzothiol-3-ylphenyl)phenyl]-3-phenyl-3-(4-phenylphenyl)prop-2-en-1-imine
CID 142294158
2-dibenzofuran-4-yl-4-[3-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164723720
2-dibenzofuran-3-yl-4-[3-[3-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 146431709

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[(Z,3E)-3-hydrazinylidene-1,3-diphenylprop-1-enyl]phenyl]phenyl]-6-[3-[(Z)-3-imino-1,3-diphenylprop-1-enyl]phenyl]dibenzofuran-3-ol?
The IUPAC name of 2-[3-[3-[(Z,3E)-3-hydrazinylidene-1,3-diphenylprop-1-enyl]phenyl]phenyl]-6-[3-[(Z)-3-imino-1,3-diphenylprop-1-enyl]phenyl]dibenzofuran-3-ol (CID 143904594) is 2-[3-[3-[(Z,3E)-3-hydrazinylidene-1,3-diphenylprop-1-enyl]phenyl]phenyl]-6-[3-[(Z)-3-imino-1,3-diphenylprop-1-enyl]phenyl]dibenzofuran-3-ol.
What is the SMILES notation for 2-[3-[3-[(Z,3E)-3-hydrazinylidene-1,3-diphenylprop-1-enyl]phenyl]phenyl]-6-[3-[(Z)-3-imino-1,3-diphenylprop-1-enyl]phenyl]dibenzofuran-3-ol?
The canonical SMILES for 2-[3-[3-[(Z,3E)-3-hydrazinylidene-1,3-diphenylprop-1-enyl]phenyl]phenyl]-6-[3-[(Z)-3-imino-1,3-diphenylprop-1-enyl]phenyl]dibenzofuran-3-ol is [H]/N=C(/C=C(/c1ccccc1)c1cccc(-c2cccc3c2oc2cc(O)c(-c4cccc(-c5cccc(/C(=C\C(=N/N)c6ccccc6)c6ccccc6)c5)c4)cc23)c1)c1ccccc1.
What is the InChIKey of 2-[3-[3-[(Z,3E)-3-hydrazinylidene-1,3-diphenylprop-1-enyl]phenyl]phenyl]-6-[3-[(Z)-3-imino-1,3-diphenylprop-1-enyl]phenyl]dibenzofuran-3-ol?
The InChIKey is XLMMVRMYYVUTFF-FFFAGQTJSA-N. The full InChI is InChI=1S/C60H43N3O2/c61-56(42-21-9-3-10-22-42)37-52(40-17-5-1-6-18-40)48-29-15-27-46(35-48)50-31-16-32-51-55-36-54(58(64)39-59(55)65-60(50)51)49-30-14-26-45(34-49)44-25-13-28-47(33-44)53(41-19-7-2-8-20-41)38-57(63-62)43-23-11-4-12-24-43/h1-39,61,64H,62H2/b52-37-,53-38-,61-56-,63-57+.
What are the key properties of 2-[3-[3-[(Z,3E)-3-hydrazinylidene-1,3-diphenylprop-1-enyl]phenyl]phenyl]-6-[3-[(Z)-3-imino-1,3-diphenylprop-1-enyl]phenyl]dibenzofuran-3-ol?
2-[3-[3-[(Z,3E)-3-hydrazinylidene-1,3-diphenylprop-1-enyl]phenyl]phenyl]-6-[3-[(Z)-3-imino-1,3-diphenylprop-1-enyl]phenyl]dibenzofuran-3-ol has a molecular weight of 838.02 g/mol, XLogP of 14.59, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[(Z,3E)-3-hydrazinylidene-1,3-diphenylprop-1-enyl]phenyl]phenyl]-6-[3-[(Z)-3-imino-1,3-diphenylprop-1-enyl]phenyl]dibenzofuran-3-ol is sourced from PubChem (CID 143904594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).