N-(4-dibenzofuran-2-ylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-4-amine

C50H31NO2 — CID 164774401

IUPACN-(4-dibenzofuran-2-ylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-4-amine
SMILESc1ccc2c(-c3c(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4cccc5c4oc4ccccc45)ccc4ccccc34)cccc2c1
InChIInChI=1S/C50H31NO2/c1-3-14-37-33(11-1)13-9-18-41(37)49-38-15-4-2-12-34(38)25-29-44(49)51(45-20-10-19-42-39-16-5-8-22-47(39)53-50(42)45)36-27-23-32(24-28-36)35-26-30-48-43(31-35)40-17-6-7-21-46(40)52-48/h1-31H
InChIKeyGOOWFOLGASYBOV-UHFFFAOYSA-N
MW677.80 g/mol
LogP14.60
Rot. Bonds5

About N-(4-dibenzofuran-2-ylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-4-amine

N-(4-dibenzofuran-2-ylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-4-amine (PubChem CID 164774401) has the molecular formula C50H31NO2 and a molecular weight of 677.80 g/mol. Its IUPAC name is N-(4-dibenzofuran-2-ylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-2-ylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-4-amine
PubChem CID164774401
Molecular FormulaC50H31NO2
Molecular Weight677.80 g/mol
Exact Mass677.24
IUPAC NameN-(4-dibenzofuran-2-ylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-4-amine
SMILESc1ccc2c(-c3c(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4cccc5c4oc4ccccc45)ccc4ccccc34)cccc2c1
InChIInChI=1S/C50H31NO2/c1-3-14-37-33(11-1)13-9-18-41(37)49-38-15-4-2-12-34(38)25-29-44(49)51(45-20-10-19-42-39-16-5-8-22-47(39)53-50(42)45)36-27-23-32(24-28-36)35-26-30-48-43(31-35)40-17-6-7-21-46(40)52-48/h1-31H
InChIKeyGOOWFOLGASYBOV-UHFFFAOYSA-N
XLogP14.60
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.80
LogP ≤ 514.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 170535179
N-(4-dibenzofuran-2-ylphenyl)-N-phenanthren-3-yl-8-phenyldibenzofuran-4-amine
CID 168809994
N-naphthalen-1-yl-8-phenyl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168805257
N-[2-[2-(2,4-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 172503187
N-(2-naphtho[2,3-b][1]benzofuran-2-ylphenyl)-N-(4-phenanthren-1-ylphenyl)dibenzofuran-4-amine
CID 174285658
N-[3-naphthalen-2-yl-2-(6-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 177097122
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 168788827
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenylaniline;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-phenylaniline
CID 158645308
2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324733
N-(2-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 157465119
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-10-amine
CID 168804037
N,N-bis(4-dibenzofuran-2-ylphenyl)dibenzofuran-2-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-2-amine;N,N-bis(4-dibenzofuran-4-ylphenyl)dibenzofuran-4-amine
CID 159092956

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-4-amine?
The IUPAC name of N-(4-dibenzofuran-2-ylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-4-amine (CID 164774401) is N-(4-dibenzofuran-2-ylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-2-ylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-4-amine?
The canonical SMILES for N-(4-dibenzofuran-2-ylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-4-amine is c1ccc2c(-c3c(N(c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)c4cccc5c4oc4ccccc45)ccc4ccccc34)cccc2c1.
What is the InChIKey of N-(4-dibenzofuran-2-ylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-4-amine?
The InChIKey is GOOWFOLGASYBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO2/c1-3-14-37-33(11-1)13-9-18-41(37)49-38-15-4-2-12-34(38)25-29-44(49)51(45-20-10-19-42-39-16-5-8-22-47(39)53-50(42)45)36-27-23-32(24-28-36)35-26-30-48-43(31-35)40-17-6-7-21-46(40)52-48/h1-31H.
What are the key properties of N-(4-dibenzofuran-2-ylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-4-amine?
N-(4-dibenzofuran-2-ylphenyl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-4-amine has a molecular weight of 677.80 g/mol, XLogP of 14.60, 5 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-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-4-amine is sourced from PubChem (CID 164774401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).