N-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-1,3-diphenyldibenzofuran-4-amine

C52H33NO2 — CID 171435455

IUPACN-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-1,3-diphenyldibenzofuran-4-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(oc4ccccc43)c2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C52H33NO2/c1-3-15-36(16-4-1)43-33-44(37-17-5-2-6-18-37)51(52-49(43)41-20-9-12-24-47(41)55-52)53(45-22-13-25-48-50(45)42-21-10-11-23-46(42)54-48)40-30-28-35(29-31-40)39-27-26-34-14-7-8-19-38(34)32-39/h1-33H
InChIKeyZKTUHCQYQDXWRY-UHFFFAOYSA-N
MW703.84 g/mol
LogP15.11
Rot. Bonds6

About N-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-1,3-diphenyldibenzofuran-4-amine

N-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-1,3-diphenyldibenzofuran-4-amine (PubChem CID 171435455) has the molecular formula C52H33NO2 and a molecular weight of 703.84 g/mol. Its IUPAC name is N-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-1,3-diphenyldibenzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-1,3-diphenyldibenzofuran-4-amine
PubChem CID171435455
Molecular FormulaC52H33NO2
Molecular Weight703.84 g/mol
Exact Mass703.25
IUPAC NameN-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-1,3-diphenyldibenzofuran-4-amine
SMILESc1ccc(-c2cc(-c3ccccc3)c3c(oc4ccccc43)c2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3oc4ccccc4c23)cc1
InChIInChI=1S/C52H33NO2/c1-3-15-36(16-4-1)43-33-44(37-17-5-2-6-18-37)51(52-49(43)41-20-9-12-24-47(41)55-52)53(45-22-13-25-48-50(45)42-21-10-11-23-46(42)54-48)40-30-28-35(29-31-40)39-27-26-34-14-7-8-19-38(34)32-39/h1-33H
InChIKeyZKTUHCQYQDXWRY-UHFFFAOYSA-N
XLogP15.11
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.84
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 166566100
N-dibenzofuran-1-yl-3-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 171435129
N-(4-naphthalen-2-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-1-amine
CID 168805244
N-dibenzofuran-2-yl-1-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-3-phenyldibenzofuran-4-amine
CID 171435429
N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605702
N-(4-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605751
N-(4-naphthalen-2-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168789792
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186611
N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810491
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 139352752
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069839
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-1,3-diphenyldibenzofuran-4-amine?
The IUPAC name of N-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-1,3-diphenyldibenzofuran-4-amine (CID 171435455) is N-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-1,3-diphenyldibenzofuran-4-amine.
What is the SMILES notation for N-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-1,3-diphenyldibenzofuran-4-amine?
The canonical SMILES for N-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-1,3-diphenyldibenzofuran-4-amine is c1ccc(-c2cc(-c3ccccc3)c3c(oc4ccccc43)c2N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3oc4ccccc4c23)cc1.
What is the InChIKey of N-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-1,3-diphenyldibenzofuran-4-amine?
The InChIKey is ZKTUHCQYQDXWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO2/c1-3-15-36(16-4-1)43-33-44(37-17-5-2-6-18-37)51(52-49(43)41-20-9-12-24-47(41)55-52)53(45-22-13-25-48-50(45)42-21-10-11-23-46(42)54-48)40-30-28-35(29-31-40)39-27-26-34-14-7-8-19-38(34)32-39/h1-33H.
What are the key properties of N-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-1,3-diphenyldibenzofuran-4-amine?
N-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-1,3-diphenyldibenzofuran-4-amine has a molecular weight of 703.84 g/mol, XLogP of 15.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-1-yl-N-(4-naphthalen-2-ylphenyl)-1,3-diphenyldibenzofuran-4-amine is sourced from PubChem (CID 171435455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).