5-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine

C48H32N2O2 — CID 177116850

IUPAC5-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(Nc2cc(-c3ccc4oc5ccccc5c4c3)cc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C48H32N2O2/c1-3-12-32(13-4-1)33-22-25-38(26-23-33)50(44-19-11-18-42-40-16-7-10-21-46(40)52-48(42)44)39-29-35(28-37(31-39)49-36-14-5-2-6-15-36)34-24-27-47-43(30-34)41-17-8-9-20-45(41)51-47/h1-31,49H
InChIKeyZXSORKSLJOLKOU-UHFFFAOYSA-N
MW668.80 g/mol
LogP14.03
Rot. Bonds7

About 5-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine

5-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine (PubChem CID 177116850) has the molecular formula C48H32N2O2 and a molecular weight of 668.80 g/mol. Its IUPAC name is 5-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
PubChem CID177116850
Molecular FormulaC48H32N2O2
Molecular Weight668.80 g/mol
Exact Mass668.25
IUPAC Name5-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine
SMILESc1ccc(Nc2cc(-c3ccc4oc5ccccc5c4c3)cc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C48H32N2O2/c1-3-12-32(13-4-1)33-22-25-38(26-23-33)50(44-19-11-18-42-40-16-7-10-21-46(40)52-48(42)44)39-29-35(28-37(31-39)49-36-14-5-2-6-15-36)34-24-27-47-43(30-34)41-17-8-9-20-45(41)51-47/h1-31,49H
InChIKeyZXSORKSLJOLKOU-UHFFFAOYSA-N
XLogP14.03
TPSA41.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.80
LogP ≤ 514.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-dibenzofuran-4-yl-3-N-(4-dibenzofuran-2-ylphenyl)-1-N,1-N,5-N,5-N-tetraphenylbenzene-1,3,5-triamine
CID 139393694
N-(3,5-diphenylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168804923
N-[3-[4-[3-(N-dibenzofuran-4-ylanilino)phenyl]phenyl]phenyl]-N-phenyldibenzofuran-4-amine
CID 71126918
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 168804493
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168805415
7-(7-dibenzofuran-3-yldibenzofuran-3-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 174244796
N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-8-yl)phenyl]-N-(3-phenylphenyl)dibenzofuran-4-amine
CID 167144371
N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-8-phenyldibenzofuran-4-amine
CID 168809994
N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-4-amine
CID 168805440
N-[4-(3-phenyldibenzofuran-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 168805436
N-(4-dibenzofuran-2-ylphenyl)-5-(3-phenylphenyl)-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167402575
N-(4-dibenzofuran-2-ylnaphthalen-1-yl)-N-(3,5-diphenylphenyl)dibenzofuran-4-amine
CID 129085302

Frequently Asked Questions

What is the IUPAC name of 5-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine?
The IUPAC name of 5-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine (CID 177116850) is 5-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine.
What is the SMILES notation for 5-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine?
The canonical SMILES for 5-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine is c1ccc(Nc2cc(-c3ccc4oc5ccccc5c4c3)cc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of 5-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine?
The InChIKey is ZXSORKSLJOLKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N2O2/c1-3-12-32(13-4-1)33-22-25-38(26-23-33)50(44-19-11-18-42-40-16-7-10-21-46(40)52-48(42)44)39-29-35(28-37(31-39)49-36-14-5-2-6-15-36)34-24-27-47-43(30-34)41-17-8-9-20-45(41)51-47/h1-31,49H.
What are the key properties of 5-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine?
5-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine has a molecular weight of 668.80 g/mol, XLogP of 14.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzofuran-2-yl-3-N-dibenzofuran-4-yl-1-N-phenyl-3-N-(4-phenylphenyl)benzene-1,3-diamine is sourced from PubChem (CID 177116850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).