N-[4-(11-naphthalen-1-ylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine

C58H36N2OS — CID 153475777

IUPACN-[4-(11-naphthalen-1-ylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc(-c5cccc6c5oc5c(-c7cccc8ccccc78)c7ccccc7n56)cc4)c4cccc5c4sc4ccccc45)cc3)cccc2c1
InChIInChI=1S/C58H36N2OS/c1-3-17-43-37(13-1)15-9-21-44(43)39-29-33-41(34-30-39)59(53-27-12-24-49-47-19-6-8-28-54(47)62-57(49)53)42-35-31-40(32-36-42)46-22-11-26-52-56(46)61-58-55(50-20-5-7-25-51(50)60(52)58)48-23-10-16-38-14-2-4-18-45(38)48/h1-36H
InChIKeyJZWGSTLBMHNSQU-UHFFFAOYSA-N
MW809.01 g/mol
LogP16.98
Rot. Bonds6

About N-[4-(11-naphthalen-1-ylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine

N-[4-(11-naphthalen-1-ylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine (PubChem CID 153475777) has the molecular formula C58H36N2OS and a molecular weight of 809.01 g/mol. Its IUPAC name is N-[4-(11-naphthalen-1-ylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-[4-(11-naphthalen-1-ylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
PubChem CID153475777
Molecular FormulaC58H36N2OS
Molecular Weight809.01 g/mol
Exact Mass808.25
IUPAC NameN-[4-(11-naphthalen-1-ylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc(-c5cccc6c5oc5c(-c7cccc8ccccc78)c7ccccc7n56)cc4)c4cccc5c4sc4ccccc45)cc3)cccc2c1
InChIInChI=1S/C58H36N2OS/c1-3-17-43-37(13-1)15-9-21-44(43)39-29-33-41(34-30-39)59(53-27-12-24-49-47-19-6-8-28-54(47)62-57(49)53)42-35-31-40(32-36-42)46-22-11-26-52-56(46)61-58-55(50-20-5-7-25-51(50)60(52)58)48-23-10-16-38-14-2-4-18-45(38)48/h1-36H
InChIKeyJZWGSTLBMHNSQU-UHFFFAOYSA-N
XLogP16.98
TPSA20.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.01
LogP ≤ 516.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine
CID 138718869
N-(4-naphthalen-1-ylphenyl)-N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]dibenzofuran-1-amine
CID 153475737
N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-4-ylphenyl)dibenzothiophen-4-amine
CID 170032627
N-(4-naphthalen-1-ylphenyl)-N-[4-(7-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605620
N-[4-(11-phenylindolo[2,1-b][1,3]benzoxazol-8-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 148534785
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139355171
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166938730
N-(2-naphtho[1,2-b][1]benzofuran-10-ylphenyl)-N-(4-phenanthren-1-ylphenyl)dibenzothiophen-4-amine
CID 174282856
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139363076
N-(4-naphthalen-1-ylphenyl)-N-[3-(5-phenylnaphthalen-2-yl)phenyl]dibenzothiophen-4-amine
CID 154605660
N-(4-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-6-phenyldibenzothiophen-4-amine
CID 167397362
N-(2-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167325795

Frequently Asked Questions

What is the IUPAC name of N-[4-(11-naphthalen-1-ylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-[4-(11-naphthalen-1-ylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine (CID 153475777) is N-[4-(11-naphthalen-1-ylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-[4-(11-naphthalen-1-ylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-[4-(11-naphthalen-1-ylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine is c1ccc2c(-c3ccc(N(c4ccc(-c5cccc6c5oc5c(-c7cccc8ccccc78)c7ccccc7n56)cc4)c4cccc5c4sc4ccccc45)cc3)cccc2c1.
What is the InChIKey of N-[4-(11-naphthalen-1-ylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine?
The InChIKey is JZWGSTLBMHNSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N2OS/c1-3-17-43-37(13-1)15-9-21-44(43)39-29-33-41(34-30-39)59(53-27-12-24-49-47-19-6-8-28-54(47)62-57(49)53)42-35-31-40(32-36-42)46-22-11-26-52-56(46)61-58-55(50-20-5-7-25-51(50)60(52)58)48-23-10-16-38-14-2-4-18-45(38)48/h1-36H.
What are the key properties of N-[4-(11-naphthalen-1-ylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine?
N-[4-(11-naphthalen-1-ylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine has a molecular weight of 809.01 g/mol, XLogP of 16.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(11-naphthalen-1-ylindolo[2,1-b][1,3]benzoxazol-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 153475777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).