N-(2-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine

C52H32N2OS — CID 166939807

IUPACN-(2-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine
SMILESc1cc(-c2cccc3oc4c5ccccc5ccc4c23)cc(N(c2ccc3c(c2)sc2ccccc23)c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C52H32N2OS/c1-2-16-38-33(13-1)27-29-43-51-37(20-12-25-48(51)55-52(38)43)34-14-11-15-35(31-34)53(36-28-30-42-41-19-5-10-26-49(41)56-50(42)32-36)46-23-8-9-24-47(46)54-44-21-6-3-17-39(44)40-18-4-7-22-45(40)54/h1-32H
InChIKeyVDHSSFRDYDSEMB-UHFFFAOYSA-N
MW732.91 g/mol
LogP15.34
Rot. Bonds5

About N-(2-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine

N-(2-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine (PubChem CID 166939807) has the molecular formula C52H32N2OS and a molecular weight of 732.91 g/mol. Its IUPAC name is N-(2-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(2-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine
PubChem CID166939807
Molecular FormulaC52H32N2OS
Molecular Weight732.91 g/mol
Exact Mass732.22
IUPAC NameN-(2-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine
SMILESc1cc(-c2cccc3oc4c5ccccc5ccc4c23)cc(N(c2ccc3c(c2)sc2ccccc23)c2ccccc2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C52H32N2OS/c1-2-16-38-33(13-1)27-29-43-51-37(20-12-25-48(51)55-52(38)43)34-14-11-15-35(31-34)53(36-28-30-42-41-19-5-10-26-49(41)56-50(42)32-36)46-23-8-9-24-47(46)54-44-21-6-3-17-39(44)40-18-4-7-22-45(40)54/h1-32H
InChIKeyVDHSSFRDYDSEMB-UHFFFAOYSA-N
XLogP15.34
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.91
LogP ≤ 515.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-carbazol-9-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 167330444
N-(2-carbazol-9-ylphenyl)-N-(3-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738214
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 163799851
N-(2-carbazol-9-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-(3-phenylphenyl)aniline
CID 167330483
N-(3-dibenzothiophen-3-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739309
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 167331126
N-dibenzothiophen-3-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737995
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330569
N-(3-dibenzothiophen-1-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737389
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 163507198
N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
CID 171738819
2-carbazol-9-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 167330267

Frequently Asked Questions

What is the IUPAC name of N-(2-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-(2-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine (CID 166939807) is N-(2-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-(2-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-(2-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine is c1cc(-c2cccc3oc4c5ccccc5ccc4c23)cc(N(c2ccc3c(c2)sc2ccccc23)c2ccccc2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of N-(2-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine?
The InChIKey is VDHSSFRDYDSEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2OS/c1-2-16-38-33(13-1)27-29-43-51-37(20-12-25-48(51)55-52(38)43)34-14-11-15-35(31-34)53(36-28-30-42-41-19-5-10-26-49(41)56-50(42)32-36)46-23-8-9-24-47(46)54-44-21-6-3-17-39(44)40-18-4-7-22-45(40)54/h1-32H.
What are the key properties of N-(2-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine?
N-(2-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine has a molecular weight of 732.91 g/mol, XLogP of 15.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbazol-9-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 166939807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).