N-(3-naphthalen-2-ylphenyl)-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine

C50H33NO — CID 154605759

IUPACN-(3-naphthalen-2-ylphenyl)-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc3cc(-c4ccc(N(c5cccc(-c6ccc7ccccc7c6)c5)c5cccc6oc7ccccc7c56)cc4)ccc23)cc1
InChIInChI=1S/C50H33NO/c1-2-12-36(13-3-1)44-19-9-16-41-32-39(27-30-45(41)44)35-25-28-42(29-26-35)51(47-20-10-22-49-50(47)46-18-6-7-21-48(46)52-49)43-17-8-15-38(33-43)40-24-23-34-11-4-5-14-37(34)31-40/h1-33H
InChIKeyMJUZJLRCVFALDA-UHFFFAOYSA-N
MW663.82 g/mol
LogP14.36
Rot. Bonds6

About N-(3-naphthalen-2-ylphenyl)-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine

N-(3-naphthalen-2-ylphenyl)-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine (PubChem CID 154605759) has the molecular formula C50H33NO and a molecular weight of 663.82 g/mol. Its IUPAC name is N-(3-naphthalen-2-ylphenyl)-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(3-naphthalen-2-ylphenyl)-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
PubChem CID154605759
Molecular FormulaC50H33NO
Molecular Weight663.82 g/mol
Exact Mass663.26
IUPAC NameN-(3-naphthalen-2-ylphenyl)-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2cccc3cc(-c4ccc(N(c5cccc(-c6ccc7ccccc7c6)c5)c5cccc6oc7ccccc7c56)cc4)ccc23)cc1
InChIInChI=1S/C50H33NO/c1-2-12-36(13-3-1)44-19-9-16-41-32-39(27-30-45(41)44)35-25-28-42(29-26-35)51(47-20-10-22-49-50(47)46-18-6-7-21-48(46)52-49)43-17-8-15-38(33-43)40-24-23-34-11-4-5-14-37(34)31-40/h1-33H
InChIKeyMJUZJLRCVFALDA-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-[3-[3-(4-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N-(3-phenylphenyl)dibenzofuran-1-amine
CID 167086262
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(3-phenanthren-2-ylphenyl)dibenzofuran-1-amine
CID 176810349
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696
2-dibenzofuran-1-yl-N-(3-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324594
N-(4-naphthalen-2-ylphenyl)-N-[4-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 154605751
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 170137601
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810710
N-(4-phenanthren-2-ylphenyl)-N-[3-(4-phenanthren-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810721
N-[4-(6-phenylnaphthalen-2-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605702
N-[4-(7-phenylnaphthalen-2-yl)phenyl]-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605841
N-(3-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-phenylaniline
CID 170535022
N-(4-naphthalen-2-ylphenyl)-N-[4-[3-phenyl-2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 168789792

Frequently Asked Questions

What is the IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(3-naphthalen-2-ylphenyl)-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine (CID 154605759) is N-(3-naphthalen-2-ylphenyl)-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(3-naphthalen-2-ylphenyl)-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(3-naphthalen-2-ylphenyl)-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine is c1ccc(-c2cccc3cc(-c4ccc(N(c5cccc(-c6ccc7ccccc7c6)c5)c5cccc6oc7ccccc7c56)cc4)ccc23)cc1.
What is the InChIKey of N-(3-naphthalen-2-ylphenyl)-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine?
The InChIKey is MJUZJLRCVFALDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NO/c1-2-12-36(13-3-1)44-19-9-16-41-32-39(27-30-45(41)44)35-25-28-42(29-26-35)51(47-20-10-22-49-50(47)46-18-6-7-21-48(46)52-49)43-17-8-15-38(33-43)40-24-23-34-11-4-5-14-37(34)31-40/h1-33H.
What are the key properties of N-(3-naphthalen-2-ylphenyl)-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine?
N-(3-naphthalen-2-ylphenyl)-N-[4-(5-phenylnaphthalen-2-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-(3-naphthalen-2-ylphenyl)-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 154605759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).