(Z)-N-benzyl-3-[3-(4-benzyldibenzofuran-3-yl)phenyl]-1-phenylprop-1-en-1-amine;phenylhydrazine

C47H41N3O — CID 142453295

IUPAC(Z)-N-benzyl-3-[3-(4-benzyldibenzofuran-3-yl)phenyl]-1-phenylprop-1-en-1-amine;phenylhydrazine
SMILESC(\Cc1cccc(-c2ccc3c(oc4ccccc43)c2Cc2ccccc2)c1)=C(\NCc1ccccc1)c1ccccc1.NNc1ccccc1
InChIInChI=1S/C41H33NO.C6H8N2/c1-4-13-30(14-5-1)28-38-35(24-25-37-36-21-10-11-22-40(36)43-41(37)38)34-20-12-17-31(27-34)23-26-39(33-18-8-3-9-19-33)42-29-32-15-6-2-7-16-32;7-8-6-4-2-1-3-5-6/h1-22,24-27,42H,23,28-29H2;1-5,8H,7H2/b39-26-;
InChIKeyNZXWXPQRARTOEN-BMZCTWMMSA-N
MW663.87 g/mol
LogP11.19
Rot. Bonds10

About (Z)-N-benzyl-3-[3-(4-benzyldibenzofuran-3-yl)phenyl]-1-phenylprop-1-en-1-amine;phenylhydrazine

(Z)-N-benzyl-3-[3-(4-benzyldibenzofuran-3-yl)phenyl]-1-phenylprop-1-en-1-amine;phenylhydrazine (PubChem CID 142453295) has the molecular formula C47H41N3O and a molecular weight of 663.87 g/mol. Its IUPAC name is (Z)-N-benzyl-3-[3-(4-benzyldibenzofuran-3-yl)phenyl]-1-phenylprop-1-en-1-amine;phenylhydrazine.

Molecular Properties

Compound Name(Z)-N-benzyl-3-[3-(4-benzyldibenzofuran-3-yl)phenyl]-1-phenylprop-1-en-1-amine;phenylhydrazine
PubChem CID142453295
Molecular FormulaC47H41N3O
Molecular Weight663.87 g/mol
Exact Mass663.32
IUPAC Name(Z)-N-benzyl-3-[3-(4-benzyldibenzofuran-3-yl)phenyl]-1-phenylprop-1-en-1-amine;phenylhydrazine
SMILESC(\Cc1cccc(-c2ccc3c(oc4ccccc43)c2Cc2ccccc2)c1)=C(\NCc1ccccc1)c1ccccc1.NNc1ccccc1
InChIInChI=1S/C41H33NO.C6H8N2/c1-4-13-30(14-5-1)28-38-35(24-25-37-36-21-10-11-22-40(36)43-41(37)38)34-20-12-17-31(27-34)23-26-39(33-18-8-3-9-19-33)42-29-32-15-6-2-7-16-32;7-8-6-4-2-1-3-5-6/h1-22,24-27,42H,23,28-29H2;1-5,8H,7H2/b39-26-;
InChIKeyNZXWXPQRARTOEN-BMZCTWMMSA-N
XLogP11.19
TPSA63.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.87
LogP ≤ 511.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-benzyl-1-(3,5-dichlorophenyl)-3-(3-phenylphenyl)prop-1-en-1-amine
CID 135245561
[4-[3-(3-benzylphenyl)dibenzofuran-4-yl]phenyl]methanamine;methanamine;phenylmethanamine;phenylmethanimine;toluene
CID 142453044
4-[3-[3-(bromomethyl)phenyl]phenyl]dibenzofuran
CID 58657592
N-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 177112541
1,1'-biphenyl;dibenzofuran-4-amine
CID 144554378
1-(3-benzylphenyl)-3-(3-methylphenyl)dibenzofuran;N-[(Z)-1,3-diphenylprop-1-enyl]methanimine;methanamine;phenylmethanamine
CID 142453100
(Z)-N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-ylmethyl)-3-phenyl-1-(3-phenylphenyl)prop-1-en-1-amine
CID 135245571
8-[3-[3-(3-phenylphenyl)phenyl]phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 162495161
2-[6-(2-dibenzofuran-3-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773535
3-benzyldibenzofuran;hydrazine;methanimine
CID 142504911
2-dibenzofuran-3-yl-4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155078432
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-3-[3-(4-benzyldibenzofuran-3-yl)phenyl]-1-phenylprop-1-en-1-amine;phenylhydrazine?
The IUPAC name of (Z)-N-benzyl-3-[3-(4-benzyldibenzofuran-3-yl)phenyl]-1-phenylprop-1-en-1-amine;phenylhydrazine (CID 142453295) is (Z)-N-benzyl-3-[3-(4-benzyldibenzofuran-3-yl)phenyl]-1-phenylprop-1-en-1-amine;phenylhydrazine.
What is the SMILES notation for (Z)-N-benzyl-3-[3-(4-benzyldibenzofuran-3-yl)phenyl]-1-phenylprop-1-en-1-amine;phenylhydrazine?
The canonical SMILES for (Z)-N-benzyl-3-[3-(4-benzyldibenzofuran-3-yl)phenyl]-1-phenylprop-1-en-1-amine;phenylhydrazine is C(\Cc1cccc(-c2ccc3c(oc4ccccc43)c2Cc2ccccc2)c1)=C(\NCc1ccccc1)c1ccccc1.NNc1ccccc1.
What is the InChIKey of (Z)-N-benzyl-3-[3-(4-benzyldibenzofuran-3-yl)phenyl]-1-phenylprop-1-en-1-amine;phenylhydrazine?
The InChIKey is NZXWXPQRARTOEN-BMZCTWMMSA-N. The full InChI is InChI=1S/C41H33NO.C6H8N2/c1-4-13-30(14-5-1)28-38-35(24-25-37-36-21-10-11-22-40(36)43-41(37)38)34-20-12-17-31(27-34)23-26-39(33-18-8-3-9-19-33)42-29-32-15-6-2-7-16-32;7-8-6-4-2-1-3-5-6/h1-22,24-27,42H,23,28-29H2;1-5,8H,7H2/b39-26-;.
What are the key properties of (Z)-N-benzyl-3-[3-(4-benzyldibenzofuran-3-yl)phenyl]-1-phenylprop-1-en-1-amine;phenylhydrazine?
(Z)-N-benzyl-3-[3-(4-benzyldibenzofuran-3-yl)phenyl]-1-phenylprop-1-en-1-amine;phenylhydrazine has a molecular weight of 663.87 g/mol, XLogP of 11.19, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-3-[3-(4-benzyldibenzofuran-3-yl)phenyl]-1-phenylprop-1-en-1-amine;phenylhydrazine is sourced from PubChem (CID 142453295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).