N-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine

C43H26N2S3 — CID 171411554

IUPACN-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccc5sc(-c6ccccc6)nc5c34)c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C43H26N2S3/c1-3-9-27(10-4-1)28-15-17-30(18-16-28)45(31-20-22-37-35(25-31)33-13-7-8-14-36(33)46-37)32-19-21-34-40(26-32)47-38-23-24-39-42(41(34)38)44-43(48-39)29-11-5-2-6-12-29/h1-26H
InChIKeyVHPAAIRLHXAABF-UHFFFAOYSA-N
MW666.90 g/mol
LogP13.84
Rot. Bonds5

About N-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine

N-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine (PubChem CID 171411554) has the molecular formula C43H26N2S3 and a molecular weight of 666.90 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine
PubChem CID171411554
Molecular FormulaC43H26N2S3
Molecular Weight666.90 g/mol
Exact Mass666.13
IUPAC NameN-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccc5sc(-c6ccccc6)nc5c34)c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C43H26N2S3/c1-3-9-27(10-4-1)28-15-17-30(18-16-28)45(31-20-22-37-35(25-31)33-13-7-8-14-36(33)46-37)32-19-21-34-40(26-32)47-38-23-24-39-42(41(34)38)44-43(48-39)29-11-5-2-6-12-29/h1-26H
InChIKeyVHPAAIRLHXAABF-UHFFFAOYSA-N
XLogP13.84
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.90
LogP ≤ 513.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-yl)phenyl]dibenzothiophen-3-amine
CID 171412051
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzothiophen-3-amine
CID 171411640
N-dibenzothiophen-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-yl)phenyl]dibenzofuran-3-amine
CID 171411363
N-dibenzofuran-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine
CID 171411564
N-dibenzofuran-2-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine
CID 171411304
N-[4-(2-phenyl-[1]benzothiolo[2,3-g][1,3]benzothiazol-8-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 171411658
N-(4-dibenzothiophen-4-ylphenyl)-N,2-diphenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-amine
CID 171411535
N-(4-naphthalen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-9-amine
CID 171411539
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 90350979
N-dibenzothiophen-3-yl-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 154031425
N-(3-dibenzofuran-4-ylphenyl)-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine
CID 171411343
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine?
The IUPAC name of N-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine (CID 171411554) is N-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)sc3ccc5sc(-c6ccccc6)nc5c34)c3ccc4sc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine?
The InChIKey is VHPAAIRLHXAABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N2S3/c1-3-9-27(10-4-1)28-15-17-30(18-16-28)45(31-20-22-37-35(25-31)33-13-7-8-14-36(33)46-37)32-19-21-34-40(26-32)47-38-23-24-39-42(41(34)38)44-43(48-39)29-11-5-2-6-12-29/h1-26H.
What are the key properties of N-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine?
N-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine has a molecular weight of 666.90 g/mol, XLogP of 13.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-2-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-amine is sourced from PubChem (CID 171411554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).