N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine

C64H41NO — CID 166589618

IUPACN-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc(-c6ccc(-c7cccc8ccccc78)c7ccccc67)c6ccccc56)cc4)c23)cc1
InChIInChI=1S/C64H41NO/c1-2-15-43(16-3-1)49-27-13-19-45-20-14-28-50(64(45)49)44-31-33-46(34-32-44)65(47-35-36-60-59-26-10-11-30-62(59)66-63(60)41-47)61-40-39-57(54-24-8-9-25-58(54)61)56-38-37-55(52-22-6-7-23-53(52)56)51-29-12-18-42-17-4-5-21-48(42)51/h1-41H
InChIKeyIDNAZYLXYXVECG-UHFFFAOYSA-N
MW840.04 g/mol
LogP18.34
Rot. Bonds7

About N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine

N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine (PubChem CID 166589618) has the molecular formula C64H41NO and a molecular weight of 840.04 g/mol. Its IUPAC name is N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
PubChem CID166589618
Molecular FormulaC64H41NO
Molecular Weight840.04 g/mol
Exact Mass839.32
IUPAC NameN-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc(-c6ccc(-c7cccc8ccccc78)c7ccccc67)c6ccccc56)cc4)c23)cc1
InChIInChI=1S/C64H41NO/c1-2-15-43(16-3-1)49-27-13-19-45-20-14-28-50(64(45)49)44-31-33-46(34-32-44)65(47-35-36-60-59-26-10-11-30-62(59)66-63(60)41-47)61-40-39-57(54-24-8-9-25-58(54)61)56-38-37-55(52-22-6-7-23-53(52)56)51-29-12-18-42-17-4-5-21-48(42)51/h1-41H
InChIKeyIDNAZYLXYXVECG-UHFFFAOYSA-N
XLogP18.34
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500840.04
LogP ≤ 518.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 139363157
N-(2-naphthalen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine
CID 170301571
N-[4-(8-dibenzofuran-4-ylnaphthalen-1-yl)phenyl]-4-naphthalen-1-yl-N-phenylnaphthalen-1-amine
CID 166589590
N-chrysen-6-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 170137080
N-naphthalen-2-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]naphthalen-1-yl]dibenzofuran-3-amine
CID 177116996
N-(3,4-dinaphthalen-1-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177097176
N-(4-naphthalen-1-ylphenyl)-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-3-amine
CID 172501087
N-dibenzofuran-3-yl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]dibenzofuran-3-amine
CID 71126774
N-dibenzofuran-3-yl-N-(4-phenylnaphthalen-1-yl)dibenzofuran-3-amine
CID 121241785
4-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 166589712
N-dibenzofuran-2-yl-N-(5-naphthalen-1-yl-2-phenylphenyl)dibenzofuran-3-amine
CID 167233790
N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 139352524

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine (CID 166589618) is N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine is c1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc6c(c5)oc5ccccc56)c5ccc(-c6ccc(-c7cccc8ccccc78)c7ccccc67)c6ccccc56)cc4)c23)cc1.
What is the InChIKey of N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is IDNAZYLXYXVECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41NO/c1-2-15-43(16-3-1)49-27-13-19-45-20-14-28-50(64(45)49)44-31-33-46(34-32-44)65(47-35-36-60-59-26-10-11-30-62(59)66-63(60)41-47)61-40-39-57(54-24-8-9-25-58(54)61)56-38-37-55(52-22-6-7-23-53(52)56)51-29-12-18-42-17-4-5-21-48(42)51/h1-41H.
What are the key properties of N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine?
N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 840.04 g/mol, XLogP of 18.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-naphthalen-1-ylnaphthalen-1-yl)naphthalen-1-yl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 166589618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).