9-benzo[g][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yldibenzofuran-3-amine

C49H28N2O2S — CID 177082460

IUPAC9-benzo[g][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yldibenzofuran-3-amine
SMILESc1ccc2cc(N(c3ccc4c(c3)oc3cccc(-c5nc6ccc7ccccc7c6o5)c34)c3ccc4sc5ccc6ccccc6c5c4c3)ccc2c1
InChIInChI=1S/C49H28N2O2S/c1-2-11-32-26-33(19-16-29(32)8-1)51(34-21-25-44-40(27-34)47-36-12-5-3-9-30(36)18-24-45(47)54-44)35-20-22-38-43(28-35)52-42-15-7-14-39(46(38)42)49-50-41-23-17-31-10-4-6-13-37(31)48(41)53-49/h1-28H
InChIKeySKFJIYOVZKSTCC-UHFFFAOYSA-N
MW708.84 g/mol
LogP14.69
Rot. Bonds4

About 9-benzo[g][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yldibenzofuran-3-amine

9-benzo[g][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yldibenzofuran-3-amine (PubChem CID 177082460) has the molecular formula C49H28N2O2S and a molecular weight of 708.84 g/mol. Its IUPAC name is 9-benzo[g][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yldibenzofuran-3-amine.

Molecular Properties

Compound Name9-benzo[g][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yldibenzofuran-3-amine
PubChem CID177082460
Molecular FormulaC49H28N2O2S
Molecular Weight708.84 g/mol
Exact Mass708.19
IUPAC Name9-benzo[g][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yldibenzofuran-3-amine
SMILESc1ccc2cc(N(c3ccc4c(c3)oc3cccc(-c5nc6ccc7ccccc7c6o5)c34)c3ccc4sc5ccc6ccccc6c5c4c3)ccc2c1
InChIInChI=1S/C49H28N2O2S/c1-2-11-32-26-33(19-16-29(32)8-1)51(34-21-25-44-40(27-34)47-36-12-5-3-9-30(36)18-24-45(47)54-44)35-20-22-38-43(28-35)52-42-15-7-14-39(46(38)42)49-50-41-23-17-31-10-4-6-13-37(31)48(41)53-49/h1-28H
InChIKeySKFJIYOVZKSTCC-UHFFFAOYSA-N
XLogP14.69
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.84
LogP ≤ 514.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
9-benzo[g][1,3]benzoxazol-2-yl-N-chrysen-4-yl-N-naphthalen-2-yldibenzofuran-3-amine
CID 177081260
9-(1,3-benzoxazol-2-yl)-N,N-di(dibenzothiophen-2-yl)dibenzofuran-3-amine
CID 177082408
9-benzo[g][1,3]benzoxazol-2-yl-N-(4-naphthalen-1-ylphenyl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 177081895
N-(9-benzo[e][1,3]benzoxazol-2-yldibenzofuran-3-yl)-N-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-9-amine
CID 177081271
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
9-benzo[g][1,3]benzoxazol-2-yl-N-dibenzofuran-1-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 177082016
9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 177082281
N-(9-phenanthren-2-yldibenzothiophen-2-yl)-N,2-diphenylbenzo[g][1,3]benzoxazol-8-amine
CID 172508771
9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-2-yl-N-naphthalen-2-yldibenzofuran-4-amine
CID 177081370
9-benzo[f][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 177081354
9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-naphthalen-1-yldibenzofuran-3-amine
CID 177081610

Frequently Asked Questions

What is the IUPAC name of 9-benzo[g][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yldibenzofuran-3-amine?
The IUPAC name of 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) is 9-benzo[g][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yldibenzofuran-3-amine.
What is the SMILES notation for 9-benzo[g][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yldibenzofuran-3-amine?
The canonical SMILES for 9-benzo[g][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yldibenzofuran-3-amine is c1ccc2cc(N(c3ccc4c(c3)oc3cccc(-c5nc6ccc7ccccc7c6o5)c34)c3ccc4sc5ccc6ccccc6c5c4c3)ccc2c1.
What is the InChIKey of 9-benzo[g][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yldibenzofuran-3-amine?
The InChIKey is SKFJIYOVZKSTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N2O2S/c1-2-11-32-26-33(19-16-29(32)8-1)51(34-21-25-44-40(27-34)47-36-12-5-3-9-30(36)18-24-45(47)54-44)35-20-22-38-43(28-35)52-42-15-7-14-39(46(38)42)49-50-41-23-17-31-10-4-6-13-37(31)48(41)53-49/h1-28H.
What are the key properties of 9-benzo[g][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yldibenzofuran-3-amine?
9-benzo[g][1,3]benzoxazol-2-yl-N-naphthalen-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yldibenzofuran-3-amine has a molecular weight of 708.84 g/mol, XLogP of 14.69, 4 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-naphthalen-2-yl-N-naphtho[2,1-b][1]benzothiol-10-yldibenzofuran-3-amine is sourced from PubChem (CID 177082460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).