N-(4-dibenzothiophen-4-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline

C52H33NOS — CID 166939738

IUPACN-(4-dibenzothiophen-4-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccccc2-c2cccc3oc4c5ccccc5ccc4c23)cc1
InChIInChI=1S/C52H33NOS/c1-2-14-34(15-3-1)38-17-6-9-24-46(38)53(37-31-28-36(29-32-37)40-21-12-23-44-42-20-8-11-27-49(42)55-52(40)44)47-25-10-7-19-41(47)43-22-13-26-48-50(43)45-33-30-35-16-4-5-18-39(35)51(45)54-48/h1-33H
InChIKeyJMIWDUVQRYRTOW-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

About N-(4-dibenzothiophen-4-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline

N-(4-dibenzothiophen-4-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline (PubChem CID 166939738) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
PubChem CID166939738
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccccc2-c2cccc3oc4c5ccccc5ccc4c23)cc1
InChIInChI=1S/C52H33NOS/c1-2-14-34(15-3-1)38-17-6-9-24-46(38)53(37-31-28-36(29-32-37)40-21-12-23-44-42-20-8-11-27-49(42)55-52(40)44)47-25-10-7-19-41(47)43-22-13-26-48-50(43)45-33-30-35-16-4-5-18-39(35)51(45)54-48/h1-33H
InChIKeyJMIWDUVQRYRTOW-UHFFFAOYSA-N
XLogP15.58
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.91
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167329482
N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 171738749
N-(4-dibenzothiophen-4-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
CID 163779199
N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737320
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737260
N-(4-dibenzothiophen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
CID 166939739
N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 166938730
N-(4-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-1-amine
CID 167330799
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 167331011
N-dibenzothiophen-4-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738816
N-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675176
N-(2-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739542

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline (CID 166939738) is N-(4-dibenzothiophen-4-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline is c1ccc(-c2ccccc2N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccccc2-c2cccc3oc4c5ccccc5ccc4c23)cc1.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline?
The InChIKey is JMIWDUVQRYRTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-14-34(15-3-1)38-17-6-9-24-46(38)53(37-31-28-36(29-32-37)40-21-12-23-44-42-20-8-11-27-49(42)55-52(40)44)47-25-10-7-19-41(47)43-22-13-26-48-50(43)45-33-30-35-16-4-5-18-39(35)51(45)54-48/h1-33H.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline?
N-(4-dibenzothiophen-4-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline has a molecular weight of 719.91 g/mol, XLogP of 15.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-4-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline is sourced from PubChem (CID 166939738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).