N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine

C52H33NO2 — CID 147363119

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc2c(-c3ccc(-c4ccc(N(c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5cccc6oc7ccccc7c56)cc4)cc3)cccc2c1
InChIInChI=1S/C52H33NO2/c1-2-11-42-37(9-1)10-7-14-43(42)38-21-19-34(20-22-38)35-23-28-40(29-24-35)53(47-15-8-18-51-52(47)45-13-4-6-17-49(45)55-51)41-30-25-36(26-31-41)39-27-32-50-46(33-39)44-12-3-5-16-48(44)54-50/h1-33H
InChIKeyDHQLNWWNMUMPDA-UHFFFAOYSA-N
MW703.84 g/mol
LogP15.11
Rot. Bonds6

About N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine

N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 147363119) has the molecular formula C52H33NO2 and a molecular weight of 703.84 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID147363119
Molecular FormulaC52H33NO2
Molecular Weight703.84 g/mol
Exact Mass703.25
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc2c(-c3ccc(-c4ccc(N(c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5cccc6oc7ccccc7c56)cc4)cc3)cccc2c1
InChIInChI=1S/C52H33NO2/c1-2-11-42-37(9-1)10-7-14-43(42)38-21-19-34(20-22-38)35-23-28-40(29-24-35)53(47-15-8-18-51-52(47)45-13-4-6-17-49(45)55-51)41-30-25-36(26-31-41)39-27-32-50-46(33-39)44-12-3-5-16-48(44)54-50/h1-33H
InChIKeyDHQLNWWNMUMPDA-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-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 155186570
N-(4-dibenzofuran-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 157368464
N-(4-dibenzofuran-2-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-1-amine
CID 172502866
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 170137601
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810710
N-(4-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605751
N-(3-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 170535179
2-dibenzofuran-2-yl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325244
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 155187007
N-(4-naphthalen-1-ylphenyl)-N-triphenylen-2-yldibenzofuran-1-amine
CID 166845878
N-(4-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810677
2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324733

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine (CID 147363119) is N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine is c1ccc2c(-c3ccc(-c4ccc(N(c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)c5cccc6oc7ccccc7c56)cc4)cc3)cccc2c1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is DHQLNWWNMUMPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NO2/c1-2-11-42-37(9-1)10-7-14-43(42)38-21-19-34(20-22-38)35-23-28-40(29-24-35)53(47-15-8-18-51-52(47)45-13-4-6-17-49(45)55-51)41-30-25-36(26-31-41)39-27-32-50-46(33-39)44-12-3-5-16-48(44)54-50/h1-33H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine?
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-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-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 147363119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).