N-phenyl-N-[4-[5-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-2-amine

C53H32N2O2S — CID 171754872

IUPACN-phenyl-N-[4-[5-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-c2nc3cccc(-c4cc5c6ccc(-c7ccc(N(c8ccccc8)c8ccc9sc%10ccccc%10c9c8)cc7)cc6oc5c5ccccc45)c3o2)cc1
InChIInChI=1S/C53H32N2O2S/c1-3-12-34(13-4-1)53-54-47-20-11-19-43(52(47)57-53)44-32-46-40-28-24-35(30-48(40)56-51(46)42-18-8-7-16-39(42)44)33-22-25-37(26-23-33)55(36-14-5-2-6-15-36)38-27-29-50-45(31-38)41-17-9-10-21-49(41)58-50/h1-32H
InChIKeyIFDLRLDMYSUHKU-UHFFFAOYSA-N
MW760.92 g/mol
LogP15.72
Rot. Bonds6

About N-phenyl-N-[4-[5-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-2-amine

N-phenyl-N-[4-[5-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-2-amine (PubChem CID 171754872) has the molecular formula C53H32N2O2S and a molecular weight of 760.92 g/mol. Its IUPAC name is N-phenyl-N-[4-[5-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[5-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-2-amine
PubChem CID171754872
Molecular FormulaC53H32N2O2S
Molecular Weight760.92 g/mol
Exact Mass760.22
IUPAC NameN-phenyl-N-[4-[5-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-2-amine
SMILESc1ccc(-c2nc3cccc(-c4cc5c6ccc(-c7ccc(N(c8ccccc8)c8ccc9sc%10ccccc%10c9c8)cc7)cc6oc5c5ccccc45)c3o2)cc1
InChIInChI=1S/C53H32N2O2S/c1-3-12-34(13-4-1)53-54-47-20-11-19-43(52(47)57-53)44-32-46-40-28-24-35(30-48(40)56-51(46)42-18-8-7-16-39(42)44)33-22-25-37(26-23-33)55(36-14-5-2-6-15-36)38-27-29-50-45(31-38)41-17-9-10-21-49(41)58-50/h1-32H
InChIKeyIFDLRLDMYSUHKU-UHFFFAOYSA-N
XLogP15.72
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.92
LogP ≤ 515.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 176785597
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-[9-[4-(1,3-benzoxazol-2-yl)phenyl]naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline
CID 171754798
N-(3-dibenzothiophen-2-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 174324049
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 167123231
N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 162702037
N-dibenzothiophen-2-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]dibenzothiophen-3-amine
CID 167123703
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine
CID 171455633
3-dibenzofuran-4-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 171455497
N-phenyl-N-[4-[7-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]dibenzofuran-2-amine
CID 171754479
6-(6-dibenzothiophen-2-yldibenzofuran-4-yl)-N,N-diphenyldibenzofuran-3-amine
CID 174244148
N-[4-[5-(1,3-benzoxazol-2-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]-N,4-diphenylaniline
CID 171754887

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[5-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-2-amine?
The IUPAC name of N-phenyl-N-[4-[5-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-2-amine (CID 171754872) is N-phenyl-N-[4-[5-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-2-amine.
What is the SMILES notation for N-phenyl-N-[4-[5-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-2-amine?
The canonical SMILES for N-phenyl-N-[4-[5-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-2-amine is c1ccc(-c2nc3cccc(-c4cc5c6ccc(-c7ccc(N(c8ccccc8)c8ccc9sc%10ccccc%10c9c8)cc7)cc6oc5c5ccccc45)c3o2)cc1.
What is the InChIKey of N-phenyl-N-[4-[5-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-2-amine?
The InChIKey is IFDLRLDMYSUHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2O2S/c1-3-12-34(13-4-1)53-54-47-20-11-19-43(52(47)57-53)44-32-46-40-28-24-35(30-48(40)56-51(46)42-18-8-7-16-39(42)44)33-22-25-37(26-23-33)55(36-14-5-2-6-15-36)38-27-29-50-45(31-38)41-17-9-10-21-49(41)58-50/h1-32H.
What are the key properties of N-phenyl-N-[4-[5-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-2-amine?
N-phenyl-N-[4-[5-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-2-amine has a molecular weight of 760.92 g/mol, XLogP of 15.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[4-[5-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-2-amine is sourced from PubChem (CID 171754872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).