N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine

C46H27NOS2 — CID 170031847

IUPACN-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine
SMILESc1ccc2c(c1)oc1ccc3ccc(-c4ccc(N(c5ccc6c(c5)sc5ccccc56)c5ccc6sc7ccccc7c6c5)cc4)cc3c12
InChIInChI=1S/C46H27NOS2/c1-4-10-40-37(9-1)46-38-25-30(14-13-29(38)17-23-41(46)48-40)28-15-18-31(19-16-28)47(32-21-24-44-39(26-32)35-8-3-6-12-43(35)49-44)33-20-22-36-34-7-2-5-11-42(34)50-45(36)27-33/h1-27H
InChIKeyMAYJXEPBBJSUBO-UHFFFAOYSA-N
MW673.86 g/mol
LogP14.61
Rot. Bonds4

About N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine

N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine (PubChem CID 170031847) has the molecular formula C46H27NOS2 and a molecular weight of 673.86 g/mol. Its IUPAC name is N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine
PubChem CID170031847
Molecular FormulaC46H27NOS2
Molecular Weight673.86 g/mol
Exact Mass673.15
IUPAC NameN-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine
SMILESc1ccc2c(c1)oc1ccc3ccc(-c4ccc(N(c5ccc6c(c5)sc5ccccc56)c5ccc6sc7ccccc7c6c5)cc4)cc3c12
InChIInChI=1S/C46H27NOS2/c1-4-10-40-37(9-1)46-38-25-30(14-13-29(38)17-23-41(46)48-40)28-15-18-31(19-16-28)47(32-21-24-44-39(26-32)35-8-3-6-12-43(35)49-44)33-20-22-36-34-7-2-5-11-42(34)50-45(36)27-33/h1-27H
InChIKeyMAYJXEPBBJSUBO-UHFFFAOYSA-N
XLogP14.61
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.86
LogP ≤ 514.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzothiophen-2-amine
CID 170032426
N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine
CID 170031524
4-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline;4-dibenzothiophen-2-yl-N,N-bis(4-dibenzothiophen-2-ylphenyl)aniline
CID 157275659
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzothiophene-2,7-diamine
CID 161416288
N-[4-[4-(N-dibenzothiophen-2-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]dibenzofuran-3-amine
CID 161374051
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085217
N-(4-chrysen-2-ylphenyl)-N-dibenzothiophen-3-yldibenzofuran-3-amine
CID 170137660
2-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzothiophene-2,7-diamine
CID 146574016
N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 170033292
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129119904
N-dibenzothiophen-3-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 170032222
7-N-dibenzofuran-2-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzothiophene-2,7-diamine
CID 139422551

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine (CID 170031847) is N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine is c1ccc2c(c1)oc1ccc3ccc(-c4ccc(N(c5ccc6c(c5)sc5ccccc56)c5ccc6sc7ccccc7c6c5)cc4)cc3c12.
What is the InChIKey of N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine?
The InChIKey is MAYJXEPBBJSUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NOS2/c1-4-10-40-37(9-1)46-38-25-30(14-13-29(38)17-23-41(46)48-40)28-15-18-31(19-16-28)47(32-21-24-44-39(26-32)35-8-3-6-12-43(35)49-44)33-20-22-36-34-7-2-5-11-42(34)50-45(36)27-33/h1-27H.
What are the key properties of N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine?
N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine has a molecular weight of 673.86 g/mol, XLogP of 14.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 170031847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).