9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-naphthalen-1-yldibenzofuran-3-amine

C41H24N2O2S — CID 177081610

IUPAC9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-naphthalen-1-yldibenzofuran-3-amine
SMILESc1ccc2c(N(c3ccc4c(c3)oc3cccc(-c5nc6ccccc6o5)c34)c3ccc4c(c3)sc3ccccc34)cccc2c1
InChIInChI=1S/C41H24N2O2S/c1-2-11-28-25(9-1)10-7-15-34(28)43(27-19-21-30-29-12-3-6-18-38(29)46-39(30)24-27)26-20-22-31-37(23-26)44-36-17-8-13-32(40(31)36)41-42-33-14-4-5-16-35(33)45-41/h1-24H
InChIKeyBJQJDSMRDXDNEN-UHFFFAOYSA-N
MW608.72 g/mol
LogP12.39
Rot. Bonds4

About 9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-naphthalen-1-yldibenzofuran-3-amine

9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-naphthalen-1-yldibenzofuran-3-amine (PubChem CID 177081610) has the molecular formula C41H24N2O2S and a molecular weight of 608.72 g/mol. Its IUPAC name is 9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-naphthalen-1-yldibenzofuran-3-amine.

Molecular Properties

Compound Name9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-naphthalen-1-yldibenzofuran-3-amine
PubChem CID177081610
Molecular FormulaC41H24N2O2S
Molecular Weight608.72 g/mol
Exact Mass608.16
IUPAC Name9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-naphthalen-1-yldibenzofuran-3-amine
SMILESc1ccc2c(N(c3ccc4c(c3)oc3cccc(-c5nc6ccccc6o5)c34)c3ccc4c(c3)sc3ccccc34)cccc2c1
InChIInChI=1S/C41H24N2O2S/c1-2-11-28-25(9-1)10-7-15-34(28)43(27-19-21-30-29-12-3-6-18-38(29)46-39(30)24-27)26-20-22-31-37(23-26)44-36-17-8-13-32(40(31)36)41-42-33-14-4-5-16-35(33)45-41/h1-24H
InChIKeyBJQJDSMRDXDNEN-UHFFFAOYSA-N
XLogP12.39
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.72
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 177081805
9-(1,3-benzoxazol-2-yl)-N,N-di(dibenzothiophen-2-yl)dibenzofuran-3-amine
CID 177082408
N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-dibenzofuran-3-yldibenzofuran-3-amine
CID 177082052
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-naphthalen-1-yldibenzofuran-2-amine
CID 177081884
N-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-dibenzofuran-2-yldibenzofuran-3-amine
CID 177081402
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 177082020
9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-2-yl-N-naphthalen-2-yldibenzofuran-4-amine
CID 177081370
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-[9-(1,3-benzoxazol-2-yl)dibenzothiophen-3-yl]-N-phenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 177081277
9-(1,3-benzoxazol-2-yl)-N-(2-fluorophenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 177081783
9-(1,3-benzoxazol-2-yl)-N-naphthalen-1-yl-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 177081784
N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-5-yl)phenyl]-N-(2-phenylphenyl)dibenzothiophen-3-amine
CID 167127743

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-naphthalen-1-yldibenzofuran-3-amine?
The IUPAC name of 9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-naphthalen-1-yldibenzofuran-3-amine (CID 177081610) is 9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-naphthalen-1-yldibenzofuran-3-amine.
What is the SMILES notation for 9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-naphthalen-1-yldibenzofuran-3-amine?
The canonical SMILES for 9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-naphthalen-1-yldibenzofuran-3-amine is c1ccc2c(N(c3ccc4c(c3)oc3cccc(-c5nc6ccccc6o5)c34)c3ccc4c(c3)sc3ccccc34)cccc2c1.
What is the InChIKey of 9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-naphthalen-1-yldibenzofuran-3-amine?
The InChIKey is BJQJDSMRDXDNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N2O2S/c1-2-11-28-25(9-1)10-7-15-34(28)43(27-19-21-30-29-12-3-6-18-38(29)46-39(30)24-27)26-20-22-31-37(23-26)44-36-17-8-13-32(40(31)36)41-42-33-14-4-5-16-35(33)45-41/h1-24H.
What are the key properties of 9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-naphthalen-1-yldibenzofuran-3-amine?
9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-naphthalen-1-yldibenzofuran-3-amine has a molecular weight of 608.72 g/mol, XLogP of 12.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-benzoxazol-2-yl)-N-dibenzothiophen-3-yl-N-naphthalen-1-yldibenzofuran-3-amine is sourced from PubChem (CID 177081610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).