4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran-1-carboximidamide

C37H24N2O2 — CID 153340631

IUPAC4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran-1-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cccc3c2oc2ccccc23)c2oc3c(-c4ccccc4)cc(-c4ccccc4)cc3c12
InChIInChI=1S/C37H24N2O2/c38-37(39)29-19-18-28(27-16-9-15-26-25-14-7-8-17-32(25)40-34(26)27)36-33(29)31-21-24(22-10-3-1-4-11-22)20-30(35(31)41-36)23-12-5-2-6-13-23/h1-21H,(H3,38,39)
InChIKeyZWYNZYUTIIYWCB-UHFFFAOYSA-N
MW528.61 g/mol
LogP9.77
Rot. Bonds4

About 4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran-1-carboximidamide

4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran-1-carboximidamide (PubChem CID 153340631) has the molecular formula C37H24N2O2 and a molecular weight of 528.61 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran-1-carboximidamide.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran-1-carboximidamide
PubChem CID153340631
Molecular FormulaC37H24N2O2
Molecular Weight528.61 g/mol
Exact Mass528.18
IUPAC Name4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran-1-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cccc3c2oc2ccccc23)c2oc3c(-c4ccccc4)cc(-c4ccccc4)cc3c12
InChIInChI=1S/C37H24N2O2/c38-37(39)29-19-18-28(27-16-9-15-26-25-14-7-8-17-32(25)40-34(26)27)36-33(29)31-21-24(22-10-3-1-4-11-22)20-30(35(31)41-36)23-12-5-2-6-13-23/h1-21H,(H3,38,39)
InChIKeyZWYNZYUTIIYWCB-UHFFFAOYSA-N
XLogP9.77
TPSA76.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.61
LogP ≤ 59.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-phenanthren-9-yl-6,8-diphenyldibenzofuran-1-carboximidamide
CID 153340661
1-chloro-4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran
CID 139479644
dibenzofuran-4-carboximidamide
CID 142482098
1-(3-methylphenyl)dibenzofuran-4-carboximidamide
CID 142453012
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
6,8-diphenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170205377
8-(2,5-diphenylphenyl)dibenzofuran-1-carboximidamide;(2-phenylphenyl)methanamine;toluene
CID 145447469
N-(4-dibenzofuran-4-ylphenyl)-N,17-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-19-amine
CID 171433672
N-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 164832167
N-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167397842
9-(9-dibenzofuran-4-yl-6-phenyldibenzofuran-4-yl)carbazole
CID 147826287
N-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(2,4-diphenylphenyl)-2,4-diphenylaniline
CID 164831971

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran-1-carboximidamide?
The IUPAC name of 4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran-1-carboximidamide (CID 153340631) is 4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran-1-carboximidamide.
What is the SMILES notation for 4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran-1-carboximidamide?
The canonical SMILES for 4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran-1-carboximidamide is [H]/N=C(\N)c1ccc(-c2cccc3c2oc2ccccc23)c2oc3c(-c4ccccc4)cc(-c4ccccc4)cc3c12.
What is the InChIKey of 4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran-1-carboximidamide?
The InChIKey is ZWYNZYUTIIYWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2O2/c38-37(39)29-19-18-28(27-16-9-15-26-25-14-7-8-17-32(25)40-34(26)27)36-33(29)31-21-24(22-10-3-1-4-11-22)20-30(35(31)41-36)23-12-5-2-6-13-23/h1-21H,(H3,38,39).
What are the key properties of 4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran-1-carboximidamide?
4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran-1-carboximidamide has a molecular weight of 528.61 g/mol, XLogP of 9.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-4-yl-6,8-diphenyldibenzofuran-1-carboximidamide is sourced from PubChem (CID 153340631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).