N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-5-amine

C43H24N2OS3 — CID 171455407

IUPACN-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-5-amine
SMILESc1ccc(-c2nc3cc4sc5cccc(N(c6ccc7c(c6)sc6ccccc67)c6ccc7sc8ccccc8c7c6)c5c4cc3o2)cc1
InChIInChI=1S/C43H24N2OS3/c1-2-9-25(10-3-1)43-44-33-24-41-32(23-35(33)46-43)42-34(13-8-16-39(42)49-41)45(26-18-20-38-31(21-26)29-12-5-7-15-37(29)47-38)27-17-19-30-28-11-4-6-14-36(28)48-40(30)22-27/h1-24H
InChIKeyDXLQHWQXHAWVSV-UHFFFAOYSA-N
MW680.88 g/mol
LogP14.07
Rot. Bonds4

About N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-5-amine

N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-5-amine (PubChem CID 171455407) has the molecular formula C43H24N2OS3 and a molecular weight of 680.88 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-5-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-5-amine
PubChem CID171455407
Molecular FormulaC43H24N2OS3
Molecular Weight680.88 g/mol
Exact Mass680.11
IUPAC NameN-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-5-amine
SMILESc1ccc(-c2nc3cc4sc5cccc(N(c6ccc7c(c6)sc6ccccc67)c6ccc7sc8ccccc8c7c6)c5c4cc3o2)cc1
InChIInChI=1S/C43H24N2OS3/c1-2-9-25(10-3-1)43-44-33-24-41-32(23-35(33)46-43)42-34(13-8-16-39(42)49-41)45(26-18-20-38-31(21-26)29-12-5-7-15-37(29)47-38)27-17-19-30-28-11-4-6-14-36(28)48-40(30)22-27/h1-24H
InChIKeyDXLQHWQXHAWVSV-UHFFFAOYSA-N
XLogP14.07
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.88
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-6-amine
CID 171456520
N-dibenzothiophen-2-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzothiolo[3,2-f][1,3]benzoxazol-5-amine
CID 171455608
N-dibenzothiophen-3-yl-N,2-diphenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-6-amine
CID 171455127
N-dibenzothiophen-3-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-amine
CID 171456458
2-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-amine
CID 171455965
N-dibenzofuran-3-yl-N-dibenzothiophen-2-yl-2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-8-amine
CID 171456518
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine
CID 171455633
N-(4-phenanthren-9-ylphenyl)-N,2-diphenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-5-amine
CID 171456263
N-dibenzothiophen-3-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)phenyl]dibenzothiophen-3-amine
CID 167127731
N-dibenzofuran-3-yl-N,2-diphenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-8-amine
CID 171456221
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzoxazol-8-amine
CID 171455178
N-dibenzothiophen-3-yl-2-phenyl-N-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazol-6-amine
CID 167130023

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-5-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-5-amine (CID 171455407) is N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-5-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-5-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-5-amine is c1ccc(-c2nc3cc4sc5cccc(N(c6ccc7c(c6)sc6ccccc67)c6ccc7sc8ccccc8c7c6)c5c4cc3o2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-5-amine?
The InChIKey is DXLQHWQXHAWVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N2OS3/c1-2-9-25(10-3-1)43-44-33-24-41-32(23-35(33)46-43)42-34(13-8-16-39(42)49-41)45(26-18-20-38-31(21-26)29-12-5-7-15-37(29)47-38)27-17-19-30-28-11-4-6-14-36(28)48-40(30)22-27/h1-24H.
What are the key properties of N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-5-amine?
N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-5-amine has a molecular weight of 680.88 g/mol, XLogP of 14.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N-dibenzothiophen-3-yl-2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-5-amine is sourced from PubChem (CID 171455407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).