9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[2,3-b][1]benzothiol-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine

C51H30N2O2S — CID 177082149

IUPAC9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[2,3-b][1]benzothiol-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)oc3cccc(-c5nc6ccc7ccccc7c6o5)c34)c3ccc4sc5cc6ccccc6cc5c4c3)c2)cc1
InChIInChI=1S/C51H30N2O2S/c1-2-10-31(11-3-1)33-15-8-16-36(26-33)53(37-22-25-47-43(29-37)42-27-34-13-4-5-14-35(34)28-48(42)56-47)38-21-23-40-46(30-38)54-45-19-9-18-41(49(40)45)51-52-44-24-20-32-12-6-7-17-39(32)50(44)55-51/h1-30H
InChIKeyMWPFAVNMRTZMOF-UHFFFAOYSA-N
MW734.88 g/mol
LogP15.21
Rot. Bonds5

About 9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[2,3-b][1]benzothiol-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine

9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[2,3-b][1]benzothiol-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine (PubChem CID 177082149) has the molecular formula C51H30N2O2S and a molecular weight of 734.88 g/mol. Its IUPAC name is 9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[2,3-b][1]benzothiol-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound Name9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[2,3-b][1]benzothiol-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
PubChem CID177082149
Molecular FormulaC51H30N2O2S
Molecular Weight734.88 g/mol
Exact Mass734.20
IUPAC Name9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[2,3-b][1]benzothiol-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc4c(c3)oc3cccc(-c5nc6ccc7ccccc7c6o5)c34)c3ccc4sc5cc6ccccc6cc5c4c3)c2)cc1
InChIInChI=1S/C51H30N2O2S/c1-2-10-31(11-3-1)33-15-8-16-36(26-33)53(37-22-25-47-43(29-37)42-27-34-13-4-5-14-35(34)28-48(42)56-47)38-21-23-40-46(30-38)54-45-19-9-18-41(49(40)45)51-52-44-24-20-32-12-6-7-17-39(32)50(44)55-51/h1-30H
InChIKeyMWPFAVNMRTZMOF-UHFFFAOYSA-N
XLogP15.21
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.88
LogP ≤ 515.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[2,3-b][1]benzothiol-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-benzo[g][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yldibenzofuran-3-amine
CID 177082460
9-benzo[g][1,3]benzoxazol-2-yl-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 177081895
N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167125302
9-benzo[f][1,3]benzoxazol-2-yl-N-naphtho[2,3-b][1]benzothiol-3-yl-N-phenyldibenzofuran-3-amine
CID 177081698
9-benzo[g][1,3]benzoxazol-2-yl-N-dibenzofuran-1-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177082016
9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[1,2-b][1]benzothiol-9-yl-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 177081238
N-dibenzofuran-3-yl-2-phenyl-N-(3-phenylphenyl)naphtho[1,2-g][1,3]benzoxazol-8-amine
CID 174293796
9-(1,3-benzoxazol-2-yl)-N,N-di(dibenzothiophen-2-yl)dibenzofuran-3-amine
CID 177082408
9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 177081805
7-N,7-N-diphenyl-2-N-[3-(N-phenylanilino)phenyl]-2-N-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)dibenzothiophene-2,7-diamine
CID 171417030
N-(3-naphthalen-2-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-2-amine
CID 166939608
N-(4-dibenzothiophen-2-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)aniline
CID 167331407

Frequently Asked Questions

What is the IUPAC name of 9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[2,3-b][1]benzothiol-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of 9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[2,3-b][1]benzothiol-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine (CID 177082149) is 9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[2,3-b][1]benzothiol-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for 9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[2,3-b][1]benzothiol-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for 9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[2,3-b][1]benzothiol-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine is c1ccc(-c2cccc(N(c3ccc4c(c3)oc3cccc(-c5nc6ccc7ccccc7c6o5)c34)c3ccc4sc5cc6ccccc6cc5c4c3)c2)cc1.
What is the InChIKey of 9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[2,3-b][1]benzothiol-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is MWPFAVNMRTZMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N2O2S/c1-2-10-31(11-3-1)33-15-8-16-36(26-33)53(37-22-25-47-43(29-37)42-27-34-13-4-5-14-35(34)28-48(42)56-47)38-21-23-40-46(30-38)54-45-19-9-18-41(49(40)45)51-52-44-24-20-32-12-6-7-17-39(32)50(44)55-51/h1-30H.
What are the key properties of 9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[2,3-b][1]benzothiol-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine?
9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[2,3-b][1]benzothiol-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 734.88 g/mol, XLogP of 15.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzo[g][1,3]benzoxazol-2-yl-N-naphtho[2,3-b][1]benzothiol-2-yl-N-(3-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 177082149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).