N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N-phenyl-4-(6-phenyldibenzofuran-4-yl)aniline

C56H37NO — CID 175611063

IUPACN-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N-phenyl-4-(6-phenyldibenzofuran-4-yl)aniline
SMILESc1ccc(-c2cccc3c2oc2c(-c4ccc(N(c5ccccc5)c5ccc(-c6cc(-c7cccc8ccccc78)c7ccccc7c6)cc5)cc4)cccc23)cc1
InChIInChI=1S/C56H37NO/c1-3-14-40(15-4-1)49-23-12-26-52-53-27-13-24-50(56(53)58-55(49)52)41-30-34-46(35-31-41)57(44-19-5-2-6-20-44)45-32-28-38(29-33-45)43-36-42-17-8-10-22-48(42)54(37-43)51-25-11-18-39-16-7-9-21-47(39)51/h1-37H
InChIKeySUEMPMQCCBZPKY-UHFFFAOYSA-N
MW739.92 g/mol
LogP16.03
Rot. Bonds7

About N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N-phenyl-4-(6-phenyldibenzofuran-4-yl)aniline

N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N-phenyl-4-(6-phenyldibenzofuran-4-yl)aniline (PubChem CID 175611063) has the molecular formula C56H37NO and a molecular weight of 739.92 g/mol. Its IUPAC name is N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N-phenyl-4-(6-phenyldibenzofuran-4-yl)aniline.

Molecular Properties

Compound NameN-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N-phenyl-4-(6-phenyldibenzofuran-4-yl)aniline
PubChem CID175611063
Molecular FormulaC56H37NO
Molecular Weight739.92 g/mol
Exact Mass739.29
IUPAC NameN-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N-phenyl-4-(6-phenyldibenzofuran-4-yl)aniline
SMILESc1ccc(-c2cccc3c2oc2c(-c4ccc(N(c5ccccc5)c5ccc(-c6cc(-c7cccc8ccccc78)c7ccccc7c6)cc5)cc4)cccc23)cc1
InChIInChI=1S/C56H37NO/c1-3-14-40(15-4-1)49-23-12-26-52-53-27-13-24-50(56(53)58-55(49)52)41-30-34-46(35-31-41)57(44-19-5-2-6-20-44)45-32-28-38(29-33-45)43-36-42-17-8-10-22-48(42)54(37-43)51-25-11-18-39-16-7-9-21-47(39)51/h1-37H
InChIKeySUEMPMQCCBZPKY-UHFFFAOYSA-N
XLogP16.03
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 516.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-naphthalen-1-yl-4-phenylphenyl)-N-phenyl-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline
CID 164831835
N-(4-naphthalen-1-ylphenyl)-3-(6-phenyldibenzofuran-4-yl)-N-(4-phenylphenyl)aniline
CID 121296696
N,4-diphenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;N-[4-[3-(6-naphthalen-1-yldibenzofuran-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3-(6-naphthalen-1-yldibenzofuran-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 159878876
N,N-bis(4-naphthalen-1-ylphenyl)-2,6-diphenyldibenzofuran-4-amine
CID 168771985
N-phenyl-4-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline
CID 131997663
1-N,3-N-dinaphthalen-1-yl-1-N,3-N-diphenyl-5-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]-5-N-(4-phenylphenyl)benzene-1,3,5-triamine
CID 139393653
N,N-bis(4-naphthalen-1-ylphenyl)-4-[4-(6-phenyldibenzofuran-4-yl)phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]aniline;N-[4-[4-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 162090302
N-[4-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 130466777
N-(4-naphthalen-1-ylphenyl)-N-[3-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine;N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine;3-(6-phenyldibenzofuran-4-yl)-N,N-bis(4-phenylphenyl)aniline
CID 160941283
N-[4-(3-naphthalen-1-yl-4-phenylphenyl)phenyl]-N-[4-(6-phenyldibenzofuran-4-yl)phenyl]naphthalen-1-amine
CID 164831588
N-[4-[3-(6-naphthalen-1-yldibenzofuran-4-yl)phenyl]phenyl]-N,4-diphenylaniline;N-[4-[3-(6-naphthalen-1-yldibenzofuran-4-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 161487869
N,4-diphenyl-N-[4-[4-(6-phenyldibenzofuran-4-yl)naphthalen-1-yl]phenyl]aniline
CID 130208173

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N-phenyl-4-(6-phenyldibenzofuran-4-yl)aniline?
The IUPAC name of N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N-phenyl-4-(6-phenyldibenzofuran-4-yl)aniline (CID 175611063) is N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N-phenyl-4-(6-phenyldibenzofuran-4-yl)aniline.
What is the SMILES notation for N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N-phenyl-4-(6-phenyldibenzofuran-4-yl)aniline?
The canonical SMILES for N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N-phenyl-4-(6-phenyldibenzofuran-4-yl)aniline is c1ccc(-c2cccc3c2oc2c(-c4ccc(N(c5ccccc5)c5ccc(-c6cc(-c7cccc8ccccc78)c7ccccc7c6)cc5)cc4)cccc23)cc1.
What is the InChIKey of N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N-phenyl-4-(6-phenyldibenzofuran-4-yl)aniline?
The InChIKey is SUEMPMQCCBZPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37NO/c1-3-14-40(15-4-1)49-23-12-26-52-53-27-13-24-50(56(53)58-55(49)52)41-30-34-46(35-31-41)57(44-19-5-2-6-20-44)45-32-28-38(29-33-45)43-36-42-17-8-10-22-48(42)54(37-43)51-25-11-18-39-16-7-9-21-47(39)51/h1-37H.
What are the key properties of N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N-phenyl-4-(6-phenyldibenzofuran-4-yl)aniline?
N-[4-(4-naphthalen-1-ylnaphthalen-2-yl)phenyl]-N-phenyl-4-(6-phenyldibenzofuran-4-yl)aniline has a molecular weight of 739.92 g/mol, XLogP of 16.03, 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-2-yl)phenyl]-N-phenyl-4-(6-phenyldibenzofuran-4-yl)aniline is sourced from PubChem (CID 175611063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).