N-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-4-amine

C53H32N2O2S — CID 171754413

IUPACN-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2nc3cccc(-c4cc5ccccc5c5oc6cc(-c7ccc(N(c8ccccc8)c8cccc9c8sc8ccccc89)cc7)ccc6c45)c3o2)cc1
InChIInChI=1S/C53H32N2O2S/c1-3-13-34(14-4-1)53-54-45-22-11-20-41(50(45)57-53)44-31-36-15-7-8-18-39(36)51-49(44)43-30-27-35(32-47(43)56-51)33-25-28-38(29-26-33)55(37-16-5-2-6-17-37)46-23-12-21-42-40-19-9-10-24-48(40)58-52(42)46/h1-32H
InChIKeySBUHOKUSHHEICG-UHFFFAOYSA-N
MW760.92 g/mol
LogP15.72
Rot. Bonds6

About N-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-4-amine

N-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-4-amine (PubChem CID 171754413) has the molecular formula C53H32N2O2S and a molecular weight of 760.92 g/mol. Its IUPAC name is N-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-4-amine
PubChem CID171754413
Molecular FormulaC53H32N2O2S
Molecular Weight760.92 g/mol
Exact Mass760.22
IUPAC NameN-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-4-amine
SMILESc1ccc(-c2nc3cccc(-c4cc5ccccc5c5oc6cc(-c7ccc(N(c8ccccc8)c8cccc9c8sc8ccccc89)cc7)ccc6c45)c3o2)cc1
InChIInChI=1S/C53H32N2O2S/c1-3-13-34(14-4-1)53-54-45-22-11-20-41(50(45)57-53)44-31-36-15-7-8-18-39(36)51-49(44)43-30-27-35(32-47(43)56-51)33-25-28-38(29-26-33)55(37-16-5-2-6-17-37)46-23-12-21-42-40-19-9-10-24-48(40)58-52(42)46/h1-32H
InChIKeySBUHOKUSHHEICG-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-dibenzothiophen-4-yl-5-phenyl-N-(4-phenylphenyl)-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaen-18-amine
CID 176631678
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
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166938730
N-[4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)phenyl]-N-(3-phenylphenyl)dibenzothiophen-4-amine
CID 174322209
N-[3-[4-(3-oxa-20-thiapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 177084667
N-dibenzothiophen-4-yl-6-phenyl-N-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-3-amine
CID 169295126
N-dibenzothiophen-4-yl-1-phenyl-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 177131025
N-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170239260
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-4-amine
CID 139355171
N-(4-dibenzothiophen-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-g][1,3]benzoxazol-5-amine
CID 171411809
2-naphthalen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167124926
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 154605617

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-4-amine?
The IUPAC name of N-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-4-amine (CID 171754413) is N-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-4-amine.
What is the SMILES notation for N-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-4-amine?
The canonical SMILES for N-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-4-amine is c1ccc(-c2nc3cccc(-c4cc5ccccc5c5oc6cc(-c7ccc(N(c8ccccc8)c8cccc9c8sc8ccccc89)cc7)ccc6c45)c3o2)cc1.
What is the InChIKey of N-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-4-amine?
The InChIKey is SBUHOKUSHHEICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32N2O2S/c1-3-13-34(14-4-1)53-54-45-22-11-20-41(50(45)57-53)44-31-36-15-7-8-18-39(36)51-49(44)43-30-27-35(32-47(43)56-51)33-25-28-38(29-26-33)55(37-16-5-2-6-17-37)46-23-12-21-42-40-19-9-10-24-48(40)58-52(42)46/h1-32H.
What are the key properties of N-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-4-amine?
N-phenyl-N-[4-[6-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-4-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-[6-(2-phenyl-1,3-benzoxazol-7-yl)naphtho[1,2-b][1]benzofuran-9-yl]phenyl]dibenzothiophen-4-amine is sourced from PubChem (CID 171754413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).