N-(3-dibenzofuran-2-yl-2-naphthalen-2-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-5-phenylnaphthalen-2-amine

C62H39NOS — CID 170665860

IUPACN-(3-dibenzofuran-2-yl-2-naphthalen-2-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-5-phenylnaphthalen-2-amine
SMILESc1ccc(-c2cccc3cc(N(c4ccccc4-c4ccc5sc6ccccc6c5c4)c4cccc(-c5ccc6oc7ccccc7c6c5)c4-c4ccc5ccccc5c4)ccc23)cc1
InChIInChI=1S/C62H39NOS/c1-2-15-41(16-3-1)48-22-12-18-43-37-47(32-33-49(43)48)63(56-24-9-6-19-50(56)44-31-35-61-55(39-44)53-21-8-11-27-60(53)65-61)57-25-13-23-51(62(57)46-29-28-40-14-4-5-17-42(40)36-46)45-30-34-59-54(38-45)52-20-7-10-26-58(52)64-59/h1-39H
InChIKeyUMNSSNXCXFSXPH-UHFFFAOYSA-N
MW846.07 g/mol
LogP18.40
Rot. Bonds7

About N-(3-dibenzofuran-2-yl-2-naphthalen-2-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-5-phenylnaphthalen-2-amine

N-(3-dibenzofuran-2-yl-2-naphthalen-2-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-5-phenylnaphthalen-2-amine (PubChem CID 170665860) has the molecular formula C62H39NOS and a molecular weight of 846.07 g/mol. Its IUPAC name is N-(3-dibenzofuran-2-yl-2-naphthalen-2-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-5-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-(3-dibenzofuran-2-yl-2-naphthalen-2-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-5-phenylnaphthalen-2-amine
PubChem CID170665860
Molecular FormulaC62H39NOS
Molecular Weight846.07 g/mol
Exact Mass845.28
IUPAC NameN-(3-dibenzofuran-2-yl-2-naphthalen-2-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-5-phenylnaphthalen-2-amine
SMILESc1ccc(-c2cccc3cc(N(c4ccccc4-c4ccc5sc6ccccc6c5c4)c4cccc(-c5ccc6oc7ccccc7c6c5)c4-c4ccc5ccccc5c4)ccc23)cc1
InChIInChI=1S/C62H39NOS/c1-2-15-41(16-3-1)48-22-12-18-43-37-47(32-33-49(43)48)63(56-24-9-6-19-50(56)44-31-35-61-55(39-44)53-21-8-11-27-60(53)65-61)57-25-13-23-51(62(57)46-29-28-40-14-4-5-17-42(40)36-46)45-30-34-59-54(38-45)52-20-7-10-26-58(52)64-59/h1-39H
InChIKeyUMNSSNXCXFSXPH-UHFFFAOYSA-N
XLogP18.40
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.07
LogP ≤ 518.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-dibenzothiophen-2-yl-3-(4-phenylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 170666297
N-(3-dibenzofuran-3-yl-2-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-2-amine
CID 170665599
N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 170665574
N-(2-dibenzofuran-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline
CID 168767128
N-[3-dibenzothiophen-2-yl-2-(3-phenylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 170666103
N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-3-amine
CID 167325463
2-dibenzofuran-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325907
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167293286
N-(2-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 167326184
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-2-yldibenzofuran-3-amine
CID 163485828
N-(3-dibenzothiophen-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234447
N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzothiophen-2-amine
CID 174292259

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-2-yl-2-naphthalen-2-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-5-phenylnaphthalen-2-amine?
The IUPAC name of N-(3-dibenzofuran-2-yl-2-naphthalen-2-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-5-phenylnaphthalen-2-amine (CID 170665860) is N-(3-dibenzofuran-2-yl-2-naphthalen-2-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-5-phenylnaphthalen-2-amine.
What is the SMILES notation for N-(3-dibenzofuran-2-yl-2-naphthalen-2-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-5-phenylnaphthalen-2-amine?
The canonical SMILES for N-(3-dibenzofuran-2-yl-2-naphthalen-2-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-5-phenylnaphthalen-2-amine is c1ccc(-c2cccc3cc(N(c4ccccc4-c4ccc5sc6ccccc6c5c4)c4cccc(-c5ccc6oc7ccccc7c6c5)c4-c4ccc5ccccc5c4)ccc23)cc1.
What is the InChIKey of N-(3-dibenzofuran-2-yl-2-naphthalen-2-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-5-phenylnaphthalen-2-amine?
The InChIKey is UMNSSNXCXFSXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39NOS/c1-2-15-41(16-3-1)48-22-12-18-43-37-47(32-33-49(43)48)63(56-24-9-6-19-50(56)44-31-35-61-55(39-44)53-21-8-11-27-60(53)65-61)57-25-13-23-51(62(57)46-29-28-40-14-4-5-17-42(40)36-46)45-30-34-59-54(38-45)52-20-7-10-26-58(52)64-59/h1-39H.
What are the key properties of N-(3-dibenzofuran-2-yl-2-naphthalen-2-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-5-phenylnaphthalen-2-amine?
N-(3-dibenzofuran-2-yl-2-naphthalen-2-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-5-phenylnaphthalen-2-amine has a molecular weight of 846.07 g/mol, XLogP of 18.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-2-yl-2-naphthalen-2-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-5-phenylnaphthalen-2-amine is sourced from PubChem (CID 170665860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).