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

C46H27NOS2 — CID 170032426

IUPACN-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzothiophen-2-amine
SMILESc1ccc2c(c1)oc1ccc3cc(-c4ccc(N(c5ccc6sc7ccccc7c6c5)c5ccc6sc7ccccc7c6c5)cc4)ccc3c12
InChIInChI=1S/C46H27NOS2/c1-4-10-40-37(9-1)46-34-21-15-29(25-30(34)16-22-41(46)48-40)28-13-17-31(18-14-28)47(32-19-23-44-38(26-32)35-7-2-5-11-42(35)49-44)33-20-24-45-39(27-33)36-8-3-6-12-43(36)50-45/h1-27H
InChIKeyIIGKJDIAGZCOJD-UHFFFAOYSA-N
MW673.86 g/mol
LogP14.61
Rot. Bonds4

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

N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzothiophen-2-amine (PubChem CID 170032426) 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-3-ylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzothiophen-2-amine
PubChem CID170032426
Molecular FormulaC46H27NOS2
Molecular Weight673.86 g/mol
Exact Mass673.15
IUPAC NameN-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzothiophen-2-amine
SMILESc1ccc2c(c1)oc1ccc3cc(-c4ccc(N(c5ccc6sc7ccccc7c6c5)c5ccc6sc7ccccc7c6c5)cc4)ccc3c12
InChIInChI=1S/C46H27NOS2/c1-4-10-40-37(9-1)46-34-21-15-29(25-30(34)16-22-41(46)48-40)28-13-17-31(18-14-28)47(32-19-23-44-38(26-32)35-7-2-5-11-42(35)49-44)33-20-24-45-39(27-33)36-8-3-6-12-43(36)50-45/h1-27H
InChIKeyIIGKJDIAGZCOJD-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-2-ylphenyl)dibenzothiophen-3-amine
CID 170031847
N-dibenzothiophen-3-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 170032222
N-(4-chrysen-2-ylphenyl)-N-dibenzothiophen-3-yldibenzofuran-3-amine
CID 170137660
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
N-dibenzothiophen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129119904
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-naphtho[2,1-b][1]benzofuran-3-ylphenyl)phenyl]-N,4-diphenylaniline
CID 170127431
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-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine
CID 170031524
N-dibenzothiophen-2-yl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzothiazol-9-yl)phenyl]dibenzofuran-2-amine
CID 163463694
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085217
N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)-N-[4-(1,2,5,6-tetrahydronaphthalen-1-yl)phenyl]dibenzothiophen-2-amine
CID 170135579

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzothiophen-2-amine (CID 170032426) is N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzothiophen-2-amine is c1ccc2c(c1)oc1ccc3cc(-c4ccc(N(c5ccc6sc7ccccc7c6c5)c5ccc6sc7ccccc7c6c5)cc4)ccc3c12.
What is the InChIKey of N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzothiophen-2-amine?
The InChIKey is IIGKJDIAGZCOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NOS2/c1-4-10-40-37(9-1)46-34-21-15-29(25-30(34)16-22-41(46)48-40)28-13-17-31(18-14-28)47(32-19-23-44-38(26-32)35-7-2-5-11-42(35)49-44)33-20-24-45-39(27-33)36-8-3-6-12-43(36)50-45/h1-27H.
What are the key properties of N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzothiophen-2-amine?
N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-3-ylphenyl)dibenzothiophen-2-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-3-ylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 170032426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).