N-dibenzofuran-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

C50H31NO2 — CID 171738699

IUPACN-dibenzofuran-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc2c(-c3ccc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6oc7c8ccccc8ccc7c56)cc4)cc3)cccc2c1
InChIInChI=1S/C50H31NO2/c1-3-12-39-34(9-1)11-7-15-40(39)36-21-19-32(20-22-36)33-23-26-37(27-24-33)51(38-28-30-43-42-14-5-6-17-46(42)52-48(43)31-38)45-16-8-18-47-49(45)44-29-25-35-10-2-4-13-41(35)50(44)53-47/h1-31H
InChIKeyFKTRIXNGNINZQJ-UHFFFAOYSA-N
MW677.80 g/mol
LogP14.60
Rot. Bonds5

About N-dibenzofuran-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine

N-dibenzofuran-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171738699) has the molecular formula C50H31NO2 and a molecular weight of 677.80 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171738699
Molecular FormulaC50H31NO2
Molecular Weight677.80 g/mol
Exact Mass677.24
IUPAC NameN-dibenzofuran-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc2c(-c3ccc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6oc7c8ccccc8ccc7c56)cc4)cc3)cccc2c1
InChIInChI=1S/C50H31NO2/c1-3-12-39-34(9-1)11-7-15-40(39)36-21-19-32(20-22-36)33-23-26-37(27-24-33)51(38-28-30-43-42-14-5-6-17-46(42)52-48(43)31-38)45-16-8-18-47-49(45)44-29-25-35-10-2-4-13-41(35)50(44)53-47/h1-31H
InChIKeyFKTRIXNGNINZQJ-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-(4-dibenzofuran-3-ylphenyl)-N-(3-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738128
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737788
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738835
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 167329689
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 167277971
N-(4-naphthalen-1-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzofuran-3-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738814
N-dibenzofuran-4-yl-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739351
N-(4-dibenzofuran-3-ylphenyl)-N-(3-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738298
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 167277337
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 163945137
N-dibenzofuran-3-yl-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737541
N-(4-naphthalen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-3-amine
CID 166939347

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 171738699) is N-dibenzofuran-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is c1ccc2c(-c3ccc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6oc7c8ccccc8ccc7c56)cc4)cc3)cccc2c1.
What is the InChIKey of N-dibenzofuran-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is FKTRIXNGNINZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NO2/c1-3-12-39-34(9-1)11-7-15-40(39)36-21-19-32(20-22-36)33-23-26-37(27-24-33)51(38-28-30-43-42-14-5-6-17-46(42)52-48(43)31-38)45-16-8-18-47-49(45)44-29-25-35-10-2-4-13-41(35)50(44)53-47/h1-31H.
What are the key properties of N-dibenzofuran-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
N-dibenzofuran-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-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-dibenzofuran-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171738699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).