3-dibenzothiophen-3-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)aniline

C52H33NOS — CID 167329579

IUPAC3-dibenzothiophen-3-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6c7ccccc7ccc6c45)cc3)c3cccc(-c4ccc5c(c4)sc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C52H33NOS/c1-2-10-34(11-3-1)35-20-26-40(27-21-35)53(42-14-8-13-38(32-42)39-25-30-46-45-16-6-7-19-49(45)55-50(46)33-39)41-28-22-37(23-29-41)43-17-9-18-48-51(43)47-31-24-36-12-4-5-15-44(36)52(47)54-48/h1-33H
InChIKeyNFTJAOYPNICOTI-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

About 3-dibenzothiophen-3-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)aniline

3-dibenzothiophen-3-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)aniline (PubChem CID 167329579) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is 3-dibenzothiophen-3-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-dibenzothiophen-3-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)aniline
PubChem CID167329579
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC Name3-dibenzothiophen-3-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6c7ccccc7ccc6c45)cc3)c3cccc(-c4ccc5c(c4)sc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C52H33NOS/c1-2-10-34(11-3-1)35-20-26-40(27-21-35)53(42-14-8-13-38(32-42)39-25-30-46-45-16-6-7-19-49(45)55-50(46)33-39)41-28-22-37(23-29-41)43-17-9-18-48-51(43)47-31-24-36-12-4-5-15-44(36)52(47)54-48/h1-33H
InChIKeyNFTJAOYPNICOTI-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-3-ylphenyl)-3-naphthalen-1-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 167329347
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 163507198
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 167331126
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine
CID 166938900
N-(4-dibenzothiophen-2-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-phenylphenyl)aniline
CID 167331407
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 163799851
N-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330248
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-3-amine
CID 167329645
3-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 166939164
3-naphtho[1,2-b][1]benzofuran-7-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166939687
N-(3-naphthalen-2-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-2-amine
CID 166939608
N-dibenzothiophen-3-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737995

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-3-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-dibenzothiophen-3-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)aniline (CID 167329579) is 3-dibenzothiophen-3-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-dibenzothiophen-3-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-dibenzothiophen-3-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4cccc5oc6c7ccccc7ccc6c45)cc3)c3cccc(-c4ccc5c(c4)sc4ccccc45)c3)cc2)cc1.
What is the InChIKey of 3-dibenzothiophen-3-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)aniline?
The InChIKey is NFTJAOYPNICOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-10-34(11-3-1)35-20-26-40(27-21-35)53(42-14-8-13-38(32-42)39-25-30-46-45-16-6-7-19-49(45)55-50(46)33-39)41-28-22-37(23-29-41)43-17-9-18-48-51(43)47-31-24-36-12-4-5-15-44(36)52(47)54-48/h1-33H.
What are the key properties of 3-dibenzothiophen-3-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)aniline?
3-dibenzothiophen-3-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)aniline 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 3-dibenzothiophen-3-yl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167329579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).