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

C50H33NO — CID 139355152

IUPACN-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc3ccccc3c2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C50H33NO/c1-2-12-35(13-3-1)44-33-28-36-15-5-7-18-43(36)49(44)38-26-31-40(32-27-38)51(46-21-11-23-48-50(46)45-19-8-9-22-47(45)52-48)39-29-24-37(25-30-39)42-20-10-16-34-14-4-6-17-41(34)42/h1-33H
InChIKeyHXBWGBLNLJATHK-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

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

N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine (PubChem CID 139355152) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
PubChem CID139355152
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc3ccccc3c2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4oc5ccccc5c34)cc2)cc1
InChIInChI=1S/C50H33NO/c1-2-12-35(13-3-1)44-33-28-36-15-5-7-18-43(36)49(44)38-26-31-40(32-27-38)51(46-21-11-23-48-50(46)45-19-8-9-22-47(45)52-48)39-29-24-37(25-30-39)42-20-10-16-34-14-4-6-17-41(34)42/h1-33H
InChIKeyHXBWGBLNLJATHK-UHFFFAOYSA-N
XLogP14.36
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.82
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine
CID 154605502
N-(4-naphthalen-1-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 139352524
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 170134332
N-(4-phenanthren-1-ylphenyl)-N-[4-(4-phenanthren-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810677
N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenyldibenzofuran-1-amine
CID 167234331
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-(4-naphthalen-2-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168789792
N-(4-chrysen-6-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 170136843
N-benzo[c]phenanthren-2-yl-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 167184393
4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527780
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234974

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine (CID 139355152) is N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc3ccccc3c2-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cccc4oc5ccccc5c34)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is HXBWGBLNLJATHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-2-12-35(13-3-1)44-33-28-36-15-5-7-18-43(36)49(44)38-26-31-40(32-27-38)51(46-21-11-23-48-50(46)45-19-8-9-22-47(45)52-48)39-29-24-37(25-30-39)42-20-10-16-34-14-4-6-17-41(34)42/h1-33H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine?
N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine has a molecular weight of 663.82 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 139355152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).