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

C58H37NOS — CID 176824657

IUPAC4-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc5ccccc45)c4ccc(-c5ccccc5-c5cccc6c5sc5ccccc56)c5oc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C58H37NOS/c1-2-14-38(15-3-1)39-28-30-40(31-29-39)41-32-34-43(35-33-41)59(52-25-12-17-42-16-4-5-18-44(42)52)53-37-36-48(57-56(53)51-22-8-10-26-54(51)60-57)45-19-6-7-20-46(45)49-23-13-24-50-47-21-9-11-27-55(47)61-58(49)50/h1-37H
InChIKeyPBKWAUQVNOAQIU-UHFFFAOYSA-N
MW796.01 g/mol
LogP17.24
Rot. Bonds7

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

4-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 176824657) has the molecular formula C58H37NOS and a molecular weight of 796.01 g/mol. Its IUPAC name is 4-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound Name4-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID176824657
Molecular FormulaC58H37NOS
Molecular Weight796.01 g/mol
Exact Mass795.26
IUPAC Name4-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4cccc5ccccc45)c4ccc(-c5ccccc5-c5cccc6c5sc5ccccc56)c5oc6ccccc6c45)cc3)cc2)cc1
InChIInChI=1S/C58H37NOS/c1-2-14-38(15-3-1)39-28-30-40(31-29-39)41-32-34-43(35-33-41)59(52-25-12-17-42-16-4-5-18-44(42)52)53-37-36-48(57-56(53)51-22-8-10-26-54(51)60-57)45-19-6-7-20-46(45)49-23-13-24-50-47-21-9-11-27-55(47)61-58(49)50/h1-37H
InChIKeyPBKWAUQVNOAQIU-UHFFFAOYSA-N
XLogP17.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.01
LogP ≤ 517.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069412
N-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186805
N-dibenzothiophen-1-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069291
N-(4-dibenzofuran-3-ylphenyl)-N-(2-dibenzothiophen-4-ylphenyl)naphthalen-1-amine
CID 167326001
N-phenanthren-4-yl-N-[4-(6-phenyldibenzothiophen-4-yl)phenyl]-4-(4-phenylphenyl)dibenzofuran-1-amine
CID 176820512
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-1-phenyldibenzofuran-4-amine
CID 171435269
N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 171738749
N-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-phenanthren-3-yldibenzofuran-1-amine
CID 176820668
N-(3-dibenzofuran-4-yl-4-phenylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-4-amine;N-(3-dibenzofuran-4-yl-4-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(3-dibenzothiophen-4-yl-4-phenylphenyl)naphthalen-1-yl]-N-phenyldibenzofuran-4-amine;N-[4-(3-dibenzothiophen-4-yl-4-phenylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 162075431
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737260
N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737320
N-(4-dibenzothiophen-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-1-amine
CID 172501487

Frequently Asked Questions

What is the IUPAC name of 4-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of 4-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine (CID 176824657) is 4-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for 4-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for 4-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is c1ccc(-c2ccc(-c3ccc(N(c4cccc5ccccc45)c4ccc(-c5ccccc5-c5cccc6c5sc5ccccc56)c5oc6ccccc6c45)cc3)cc2)cc1.
What is the InChIKey of 4-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is PBKWAUQVNOAQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NOS/c1-2-14-38(15-3-1)39-28-30-40(31-29-39)41-32-34-43(35-33-41)59(52-25-12-17-42-16-4-5-18-44(42)52)53-37-36-48(57-56(53)51-22-8-10-26-54(51)60-57)45-19-6-7-20-46(45)49-23-13-24-50-47-21-9-11-27-55(47)61-58(49)50/h1-37H.
What are the key properties of 4-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine?
4-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine has a molecular weight of 796.01 g/mol, XLogP of 17.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 176824657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).