N-[4-(2-dibenzothiophen-3-yl-[1]benzofuro[2,3-g][1,3]benzothiazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

C53H32N2OS2 — CID 167123688

IUPACN-[4-(2-dibenzothiophen-3-yl-[1]benzofuro[2,3-g][1,3]benzothiazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccc6nc(-c7ccc8c(c7)sc7ccccc78)sc6c45)cc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C53H32N2OS2/c1-2-9-33(10-3-1)35-17-23-39(24-18-35)55(41-27-19-34-11-4-5-12-37(34)31-41)40-25-20-36(21-26-40)42-14-8-15-45-50-47(56-51(42)45)30-29-46-52(50)58-53(54-46)38-22-28-44-43-13-6-7-16-48(43)57-49(44)32-38/h1-32H
InChIKeyLWXYKKOOXIPXHM-UHFFFAOYSA-N
MW776.99 g/mol
LogP16.19
Rot. Bonds6

About N-[4-(2-dibenzothiophen-3-yl-[1]benzofuro[2,3-g][1,3]benzothiazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine

N-[4-(2-dibenzothiophen-3-yl-[1]benzofuro[2,3-g][1,3]benzothiazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (PubChem CID 167123688) has the molecular formula C53H32N2OS2 and a molecular weight of 776.99 g/mol. Its IUPAC name is N-[4-(2-dibenzothiophen-3-yl-[1]benzofuro[2,3-g][1,3]benzothiazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(2-dibenzothiophen-3-yl-[1]benzofuro[2,3-g][1,3]benzothiazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
PubChem CID167123688
Molecular FormulaC53H32N2OS2
Molecular Weight776.99 g/mol
Exact Mass776.20
IUPAC NameN-[4-(2-dibenzothiophen-3-yl-[1]benzofuro[2,3-g][1,3]benzothiazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccc6nc(-c7ccc8c(c7)sc7ccccc78)sc6c45)cc3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C53H32N2OS2/c1-2-9-33(10-3-1)35-17-23-39(24-18-35)55(41-27-19-34-11-4-5-12-37(34)31-41)40-25-20-36(21-26-40)42-14-8-15-45-50-47(56-51(42)45)30-29-46-52(50)58-53(54-46)38-22-28-44-43-13-6-7-16-48(43)57-49(44)32-38/h1-32H
InChIKeyLWXYKKOOXIPXHM-UHFFFAOYSA-N
XLogP16.19
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.99
LogP ≤ 516.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-dibenzothiophen-3-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazol-9-yl)phenyl]dibenzothiophen-3-amine
CID 167125172
N-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-1-amine
CID 167397714
N-naphthalen-2-yl-N-[4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)phenyl]dibenzothiophen-3-amine
CID 167144638
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-3-naphthalen-2-ylaniline
CID 167324054
N-dibenzothiophen-2-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine
CID 170395497
N-(4-naphthalen-1-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzothiazol-8-amine
CID 167124499
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]naphthalen-2-amine
CID 171411508
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine
CID 166938900
N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 176785597
3-dibenzothiophen-3-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167329579
N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 171411658
N-(4-dibenzothiophen-3-ylphenyl)-6-phenyl-N-(6-phenylnaphthalen-2-yl)dibenzofuran-4-amine
CID 167397227

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-dibenzothiophen-3-yl-[1]benzofuro[2,3-g][1,3]benzothiazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of N-[4-(2-dibenzothiophen-3-yl-[1]benzofuro[2,3-g][1,3]benzothiazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine (CID 167123688) is N-[4-(2-dibenzothiophen-3-yl-[1]benzofuro[2,3-g][1,3]benzothiazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for N-[4-(2-dibenzothiophen-3-yl-[1]benzofuro[2,3-g][1,3]benzothiazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for N-[4-(2-dibenzothiophen-3-yl-[1]benzofuro[2,3-g][1,3]benzothiazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5c4oc4ccc6nc(-c7ccc8c(c7)sc7ccccc78)sc6c45)cc3)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-[4-(2-dibenzothiophen-3-yl-[1]benzofuro[2,3-g][1,3]benzothiazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is LWXYKKOOXIPXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2OS2/c1-2-9-33(10-3-1)35-17-23-39(24-18-35)55(41-27-19-34-11-4-5-12-37(34)31-41)40-25-20-36(21-26-40)42-14-8-15-45-50-47(56-51(42)45)30-29-46-52(50)58-53(54-46)38-22-28-44-43-13-6-7-16-48(43)57-49(44)32-38/h1-32H.
What are the key properties of N-[4-(2-dibenzothiophen-3-yl-[1]benzofuro[2,3-g][1,3]benzothiazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine?
N-[4-(2-dibenzothiophen-3-yl-[1]benzofuro[2,3-g][1,3]benzothiazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 776.99 g/mol, XLogP of 16.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-dibenzothiophen-3-yl-[1]benzofuro[2,3-g][1,3]benzothiazol-7-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 167123688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).