N-(2,6-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine

C56H35NOS — CID 168771881

IUPACN-(2,6-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(-c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)oc3c5ccccc5ccc43)c3sc4c(-c5ccccc5)cccc4c3c2)cc1
InChIInChI=1S/C56H35NOS/c1-3-13-36(14-4-1)41-33-51-50-24-12-23-47(38-15-5-2-6-16-38)55(50)59-56(51)52(34-41)57(42-28-25-40(26-29-42)45-22-11-19-37-17-7-9-20-44(37)45)43-30-32-48-49-31-27-39-18-8-10-21-46(39)54(49)58-53(48)35-43/h1-35H
InChIKeyIGFJJNSYGTYQDD-UHFFFAOYSA-N
MW769.97 g/mol
LogP16.73
Rot. Bonds6

About N-(2,6-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine

N-(2,6-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine (PubChem CID 168771881) has the molecular formula C56H35NOS and a molecular weight of 769.97 g/mol. Its IUPAC name is N-(2,6-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine.

Molecular Properties

Compound NameN-(2,6-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
PubChem CID168771881
Molecular FormulaC56H35NOS
Molecular Weight769.97 g/mol
Exact Mass769.24
IUPAC NameN-(2,6-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
SMILESc1ccc(-c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)oc3c5ccccc5ccc43)c3sc4c(-c5ccccc5)cccc4c3c2)cc1
InChIInChI=1S/C56H35NOS/c1-3-13-36(14-4-1)41-33-51-50-24-12-23-47(38-15-5-2-6-16-38)55(50)59-56(51)52(34-41)57(42-28-25-40(26-29-42)45-22-11-19-37-17-7-9-20-44(37)45)43-30-32-48-49-31-27-39-18-8-10-21-46(39)54(49)58-53(48)35-43/h1-35H
InChIKeyIGFJJNSYGTYQDD-UHFFFAOYSA-N
XLogP16.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.97
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6,9-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 168772165
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397414
N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-[4-(8-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 169302137
N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]naphthalen-1-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]naphthalen-1-amine;N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-3-amine;N-[4-[3-(6-phenyldibenzothiophen-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 160742850
N-(4-dibenzofuran-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397214
N-dibenzofuran-3-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738699
N-dibenzothiophen-4-yl-9-[4-(3,5-diphenylphenyl)phenyl]-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170675281
N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(7-phenylnaphthalen-1-yl)dibenzofuran-4-amine;N-(4-naphthalen-1-ylphenyl)-6-phenyl-N-(7-phenylnaphthalen-1-yl)dibenzothiophen-4-amine;6-phenyl-N-(6-phenyldibenzofuran-4-yl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzofuran-4-amine;6-phenyl-N-(6-phenyldibenzothiophen-4-yl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 158016465
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-yl-6-phenyldibenzothiophen-4-amine
CID 168809687
N-phenyl-N,9-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-8-amine
CID 170243077
N-(9,10-diphenylphenanthren-2-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 169064264
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-3-amine
CID 167277546

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The IUPAC name of N-(2,6-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine (CID 168771881) is N-(2,6-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine.
What is the SMILES notation for N-(2,6-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The canonical SMILES for N-(2,6-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine is c1ccc(-c2cc(N(c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(c3)oc3c5ccccc5ccc43)c3sc4c(-c5ccccc5)cccc4c3c2)cc1.
What is the InChIKey of N-(2,6-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
The InChIKey is IGFJJNSYGTYQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35NOS/c1-3-13-36(14-4-1)41-33-51-50-24-12-23-47(38-15-5-2-6-16-38)55(50)59-56(51)52(34-41)57(42-28-25-40(26-29-42)45-22-11-19-37-17-7-9-20-44(37)45)43-30-32-48-49-31-27-39-18-8-10-21-46(39)54(49)58-53(48)35-43/h1-35H.
What are the key properties of N-(2,6-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine?
N-(2,6-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine has a molecular weight of 769.97 g/mol, XLogP of 16.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diphenyldibenzothiophen-4-yl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-9-amine is sourced from PubChem (CID 168771881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).