N-benzyl-1-(4,6,8-triphenyldibenzofuran-1-yl)methanimine;dibenzofuran-3-ylmethanamine

C51H38N2O2 — CID 153340640

IUPACN-benzyl-1-(4,6,8-triphenyldibenzofuran-1-yl)methanimine;dibenzofuran-3-ylmethanamine
SMILESC(=N/Cc1ccccc1)\c1ccc(-c2ccccc2)c2oc3c(-c4ccccc4)cc(-c4ccccc4)cc3c12.NCc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C38H27NO.C13H11NO/c1-5-13-27(14-6-1)25-39-26-31-21-22-33(29-17-9-3-10-18-29)38-36(31)35-24-32(28-15-7-2-8-16-28)23-34(37(35)40-38)30-19-11-4-12-20-30;14-8-9-5-6-11-10-3-1-2-4-12(10)15-13(11)7-9/h1-24,26H,25H2;1-7H,8,14H2/b39-26+;
InChIKeyJCPCWXMIDMOYEX-NDRPFHGCSA-N
MW710.88 g/mol
LogP13.25
Rot. Bonds7

About N-benzyl-1-(4,6,8-triphenyldibenzofuran-1-yl)methanimine;dibenzofuran-3-ylmethanamine

N-benzyl-1-(4,6,8-triphenyldibenzofuran-1-yl)methanimine;dibenzofuran-3-ylmethanamine (PubChem CID 153340640) has the molecular formula C51H38N2O2 and a molecular weight of 710.88 g/mol. Its IUPAC name is N-benzyl-1-(4,6,8-triphenyldibenzofuran-1-yl)methanimine;dibenzofuran-3-ylmethanamine.

Molecular Properties

Compound NameN-benzyl-1-(4,6,8-triphenyldibenzofuran-1-yl)methanimine;dibenzofuran-3-ylmethanamine
PubChem CID153340640
Molecular FormulaC51H38N2O2
Molecular Weight710.88 g/mol
Exact Mass710.29
IUPAC NameN-benzyl-1-(4,6,8-triphenyldibenzofuran-1-yl)methanimine;dibenzofuran-3-ylmethanamine
SMILESC(=N/Cc1ccccc1)\c1ccc(-c2ccccc2)c2oc3c(-c4ccccc4)cc(-c4ccccc4)cc3c12.NCc1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C38H27NO.C13H11NO/c1-5-13-27(14-6-1)25-39-26-31-21-22-33(29-17-9-3-10-18-29)38-36(31)35-24-32(28-15-7-2-8-16-28)23-34(37(35)40-38)30-19-11-4-12-20-30;14-8-9-5-6-11-10-3-1-2-4-12(10)15-13(11)7-9/h1-24,26H,25H2;1-7H,8,14H2/b39-26+;
InChIKeyJCPCWXMIDMOYEX-NDRPFHGCSA-N
XLogP13.25
TPSA64.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.88
LogP ≤ 513.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-benzyl-1-(4,6,8-triphenyldibenzofuran-1-yl)methanimine;dibenzofuran-3-ylmethanamine with MolForge

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Related Compounds

2-dibenzofuran-3-yl-4-phenyl-6-(4,6,8-triphenyldibenzofuran-1-yl)-1,3,5-triazine
CID 139478984
(4,6,8-triphenyldibenzofuran-1-yl)methanimine
CID 153340539
N-[4-(4,6-diphenyldibenzofuran-2-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 148657680
1-chloro-4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran
CID 139479644
(4-dibenzofuran-4-ylphenyl)methanamine
CID 67186774
N'-benzylbenzenecarboximidamide;N-[[3-[3-(4,6,8-triphenyldibenzofuran-1-yl)phenyl]phenyl]methyl]methanimine
CID 153340652
2,4,6,8-tetraphenyldibenzofuran-1-ol
CID 101377817
4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran-1-carboximidamide
CID 153340631
2-[4-[(4-dibenzofuran-4-ylphenyl)methyl]phenyl]dibenzofuran
CID 159612507
N-dibenzofuran-3-yl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]dibenzofuran-3-amine
CID 121296704
2,4-diphenyl-6-[7-[4-(4-phenylphenyl)dibenzofuran-2-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 170378755
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]dibenzofuran-3-amine
CID 70808580

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4,6,8-triphenyldibenzofuran-1-yl)methanimine;dibenzofuran-3-ylmethanamine?
The IUPAC name of N-benzyl-1-(4,6,8-triphenyldibenzofuran-1-yl)methanimine;dibenzofuran-3-ylmethanamine (CID 153340640) is N-benzyl-1-(4,6,8-triphenyldibenzofuran-1-yl)methanimine;dibenzofuran-3-ylmethanamine.
What is the SMILES notation for N-benzyl-1-(4,6,8-triphenyldibenzofuran-1-yl)methanimine;dibenzofuran-3-ylmethanamine?
The canonical SMILES for N-benzyl-1-(4,6,8-triphenyldibenzofuran-1-yl)methanimine;dibenzofuran-3-ylmethanamine is C(=N/Cc1ccccc1)\c1ccc(-c2ccccc2)c2oc3c(-c4ccccc4)cc(-c4ccccc4)cc3c12.NCc1ccc2c(c1)oc1ccccc12.
What is the InChIKey of N-benzyl-1-(4,6,8-triphenyldibenzofuran-1-yl)methanimine;dibenzofuran-3-ylmethanamine?
The InChIKey is JCPCWXMIDMOYEX-NDRPFHGCSA-N. The full InChI is InChI=1S/C38H27NO.C13H11NO/c1-5-13-27(14-6-1)25-39-26-31-21-22-33(29-17-9-3-10-18-29)38-36(31)35-24-32(28-15-7-2-8-16-28)23-34(37(35)40-38)30-19-11-4-12-20-30;14-8-9-5-6-11-10-3-1-2-4-12(10)15-13(11)7-9/h1-24,26H,25H2;1-7H,8,14H2/b39-26+;.
What are the key properties of N-benzyl-1-(4,6,8-triphenyldibenzofuran-1-yl)methanimine;dibenzofuran-3-ylmethanamine?
N-benzyl-1-(4,6,8-triphenyldibenzofuran-1-yl)methanimine;dibenzofuran-3-ylmethanamine has a molecular weight of 710.88 g/mol, XLogP of 13.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4,6,8-triphenyldibenzofuran-1-yl)methanimine;dibenzofuran-3-ylmethanamine is sourced from PubChem (CID 153340640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).