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

C58H37NO2 — CID 171738107

IUPACN-(2-dibenzofuran-4-ylphenyl)-N-[4-(2,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4cccc5c4oc4ccccc45)c4cccc5oc6c7ccccc7ccc6c45)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C58H37NO2/c1-3-15-38(16-4-1)42-32-35-44(51(37-42)39-17-5-2-6-18-39)41-29-33-43(34-30-41)59(53-26-14-28-55-56(53)50-36-31-40-19-7-8-20-45(40)57(50)61-55)52-25-11-9-21-46(52)48-23-13-24-49-47-22-10-12-27-54(47)60-58(48)49/h1-37H
InChIKeyBUGRFKONTZTBJS-UHFFFAOYSA-N
MW779.94 g/mol
LogP16.78
Rot. Bonds7

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

N-(2-dibenzofuran-4-ylphenyl)-N-[4-(2,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171738107) has the molecular formula C58H37NO2 and a molecular weight of 779.94 g/mol. Its IUPAC name is N-(2-dibenzofuran-4-ylphenyl)-N-[4-(2,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(2-dibenzofuran-4-ylphenyl)-N-[4-(2,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171738107
Molecular FormulaC58H37NO2
Molecular Weight779.94 g/mol
Exact Mass779.28
IUPAC NameN-(2-dibenzofuran-4-ylphenyl)-N-[4-(2,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4cccc5c4oc4ccccc45)c4cccc5oc6c7ccccc7ccc6c45)cc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C58H37NO2/c1-3-15-38(16-4-1)42-32-35-44(51(37-42)39-17-5-2-6-18-39)41-29-33-43(34-30-41)59(53-26-14-28-55-56(53)50-36-31-40-19-7-8-20-45(40)57(50)61-55)52-25-11-9-21-46(52)48-23-13-24-49-47-22-10-12-27-54(47)60-58(48)49/h1-37H
InChIKeyBUGRFKONTZTBJS-UHFFFAOYSA-N
XLogP16.78
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.94
LogP ≤ 516.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739445
N-(2-dibenzofuran-3-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737300
N-[4-(3,4-diphenylphenyl)phenyl]-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphthalen-1-amine
CID 167331201
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737921
N-[4-(2,4-diphenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737688
N-(4-dibenzofuran-1-ylphenyl)-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737704
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 170272057
N-[4-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 164832167
N-(2,4-diphenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739276
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
CID 167330996
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739200
N-(3-dibenzofuran-3-ylphenyl)-N-[4-(3,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737856

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-[4-(2,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(2-dibenzofuran-4-ylphenyl)-N-[4-(2,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine (CID 171738107) is N-(2-dibenzofuran-4-ylphenyl)-N-[4-(2,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(2-dibenzofuran-4-ylphenyl)-N-[4-(2,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(2-dibenzofuran-4-ylphenyl)-N-[4-(2,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4-c4cccc5c4oc4ccccc45)c4cccc5oc6c7ccccc7ccc6c45)cc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of N-(2-dibenzofuran-4-ylphenyl)-N-[4-(2,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is BUGRFKONTZTBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NO2/c1-3-15-38(16-4-1)42-32-35-44(51(37-42)39-17-5-2-6-18-39)41-29-33-43(34-30-41)59(53-26-14-28-55-56(53)50-36-31-40-19-7-8-20-45(40)57(50)61-55)52-25-11-9-21-46(52)48-23-13-24-49-47-22-10-12-27-54(47)60-58(48)49/h1-37H.
What are the key properties of N-(2-dibenzofuran-4-ylphenyl)-N-[4-(2,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine?
N-(2-dibenzofuran-4-ylphenyl)-N-[4-(2,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 779.94 g/mol, XLogP of 16.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzofuran-4-ylphenyl)-N-[4-(2,4-diphenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171738107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).