N-dibenzothiophen-1-yl-N,8-diphenylnaphtho[2,1-b][1]benzofuran-4-amine

C40H25NOS — CID 177130918

IUPACN-dibenzothiophen-1-yl-N,8-diphenylnaphtho[2,1-b][1]benzofuran-4-amine
SMILESc1ccc(-c2cccc3c2oc2ccc4c(N(c5ccccc5)c5cccc6sc7ccccc7c56)cccc4c23)cc1
InChIInChI=1S/C40H25NOS/c1-3-12-26(13-4-1)28-17-9-19-32-38-30-18-10-20-33(29(30)24-25-35(38)42-40(28)32)41(27-14-5-2-6-15-27)34-21-11-23-37-39(34)31-16-7-8-22-36(31)43-37/h1-25H
InChIKeyKRPRHHIFPWMSDX-UHFFFAOYSA-N
MW567.71 g/mol
LogP12.24
Rot. Bonds4

About N-dibenzothiophen-1-yl-N,8-diphenylnaphtho[2,1-b][1]benzofuran-4-amine

N-dibenzothiophen-1-yl-N,8-diphenylnaphtho[2,1-b][1]benzofuran-4-amine (PubChem CID 177130918) has the molecular formula C40H25NOS and a molecular weight of 567.71 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N,8-diphenylnaphtho[2,1-b][1]benzofuran-4-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N,8-diphenylnaphtho[2,1-b][1]benzofuran-4-amine
PubChem CID177130918
Molecular FormulaC40H25NOS
Molecular Weight567.71 g/mol
Exact Mass567.17
IUPAC NameN-dibenzothiophen-1-yl-N,8-diphenylnaphtho[2,1-b][1]benzofuran-4-amine
SMILESc1ccc(-c2cccc3c2oc2ccc4c(N(c5ccccc5)c5cccc6sc7ccccc7c56)cccc4c23)cc1
InChIInChI=1S/C40H25NOS/c1-3-12-26(13-4-1)28-17-9-19-32-38-30-18-10-20-33(29(30)24-25-35(38)42-40(28)32)41(27-14-5-2-6-15-27)34-21-11-23-37-39(34)31-16-7-8-22-36(31)43-37/h1-25H
InChIKeyKRPRHHIFPWMSDX-UHFFFAOYSA-N
XLogP12.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.71
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-1-amine
CID 167329288
N-(2-naphtho[2,1-b][1]benzofuran-8-yl-3-phenylphenyl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 170665977
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-1-amine
CID 164968895
N-dibenzothiophen-1-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzofuran-4-amine
CID 168805096
N-dibenzothiophen-1-yl-N,5-diphenylnaphtho[2,1-b][1]benzofuran-11-amine
CID 170301532
N-(4-dibenzofuran-4-ylphenyl)-4-naphtho[2,1-b][1]benzothiol-4-yl-N-phenylaniline
CID 170040489
N-(4-dibenzofuran-1-ylphenyl)-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine
CID 168805429
N-phenanthren-2-yl-N-[4-(6-phenyldibenzofuran-2-yl)phenyl]dibenzothiophen-1-amine
CID 168805268
N-(3-dibenzothiophen-1-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738717
N-[3-[3-(N-dibenzothiophen-1-yl-2-phenylanilino)phenyl]phenyl]-N-(2-phenylphenyl)dibenzothiophen-1-amine
CID 167086970
4-dibenzothiophen-1-yl-N-phenyl-N-[4-(10-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]aniline
CID 167402076
N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
CID 171738819

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N,8-diphenylnaphtho[2,1-b][1]benzofuran-4-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N,8-diphenylnaphtho[2,1-b][1]benzofuran-4-amine (CID 177130918) is N-dibenzothiophen-1-yl-N,8-diphenylnaphtho[2,1-b][1]benzofuran-4-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N,8-diphenylnaphtho[2,1-b][1]benzofuran-4-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N,8-diphenylnaphtho[2,1-b][1]benzofuran-4-amine is c1ccc(-c2cccc3c2oc2ccc4c(N(c5ccccc5)c5cccc6sc7ccccc7c56)cccc4c23)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-N,8-diphenylnaphtho[2,1-b][1]benzofuran-4-amine?
The InChIKey is KRPRHHIFPWMSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NOS/c1-3-12-26(13-4-1)28-17-9-19-32-38-30-18-10-20-33(29(30)24-25-35(38)42-40(28)32)41(27-14-5-2-6-15-27)34-21-11-23-37-39(34)31-16-7-8-22-36(31)43-37/h1-25H.
What are the key properties of N-dibenzothiophen-1-yl-N,8-diphenylnaphtho[2,1-b][1]benzofuran-4-amine?
N-dibenzothiophen-1-yl-N,8-diphenylnaphtho[2,1-b][1]benzofuran-4-amine has a molecular weight of 567.71 g/mol, XLogP of 12.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-N,8-diphenylnaphtho[2,1-b][1]benzofuran-4-amine is sourced from PubChem (CID 177130918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).