N-(4-dibenzothiophen-4-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-N-phenylaniline

C46H29NOS — CID 170033343

IUPACN-(4-dibenzothiophen-4-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cccc4c3oc3ccc5ccccc5c34)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C46H29NOS/c1-2-11-33(12-3-1)47(35-27-22-32(23-28-35)38-16-9-17-40-39-14-6-7-19-43(39)49-46(38)40)34-25-20-31(21-26-34)37-15-8-18-41-44-36-13-5-4-10-30(36)24-29-42(44)48-45(37)41/h1-29H
InChIKeyRXBAYIVKGDXMLF-UHFFFAOYSA-N
MW643.81 g/mol
LogP13.91
Rot. Bonds5

About N-(4-dibenzothiophen-4-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-N-phenylaniline

N-(4-dibenzothiophen-4-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-N-phenylaniline (PubChem CID 170033343) has the molecular formula C46H29NOS and a molecular weight of 643.81 g/mol. Its IUPAC name is N-(4-dibenzothiophen-4-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-N-phenylaniline.

Molecular Properties

Compound NameN-(4-dibenzothiophen-4-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-N-phenylaniline
PubChem CID170033343
Molecular FormulaC46H29NOS
Molecular Weight643.81 g/mol
Exact Mass643.20
IUPAC NameN-(4-dibenzothiophen-4-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-N-phenylaniline
SMILESc1ccc(N(c2ccc(-c3cccc4c3oc3ccc5ccccc5c34)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1
InChIInChI=1S/C46H29NOS/c1-2-11-33(12-3-1)47(35-27-22-32(23-28-35)38-16-9-17-40-39-14-6-7-19-43(39)49-46(38)40)34-25-20-31(21-26-34)37-15-8-18-41-44-36-13-5-4-10-30(36)24-29-42(44)48-45(37)41/h1-29H
InChIKeyRXBAYIVKGDXMLF-UHFFFAOYSA-N
XLogP13.91
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.81
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-naphthalen-1-yl-N-(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)-N-phenylaniline
CID 170031129
N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-phenylaniline;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 159541648
4-naphthalen-1-yl-N,N-bis(4-naphtho[2,1-b][1]benzofuran-8-ylphenyl)aniline
CID 134337475
4-dibenzothiophen-4-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-phenylaniline
CID 59022081
N-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-N-(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-9-amine
CID 170675176
N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737260
N-(4-dibenzofuran-4-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]phenanthren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine;N-(4-dibenzothiophen-4-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]phenanthren-2-amine
CID 161255866
4-(4-dibenzothiophen-4-ylphenyl)-N-[4-[4-(N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59022057
4-dibenzothiophen-4-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline;4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-[N-(4-dibenzothiophen-4-ylphenyl)-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]anilino]phenyl]-N,N-diphenylaniline
CID 158485457
N-(4-dibenzofuran-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-4-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-4-(2-phenylphenyl)aniline
CID 158195164
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3-phenylaniline
CID 170031800
N-(4-dibenzothiophen-4-ylphenyl)-N-naphthalen-1-ylnaphtho[1,2-b][1]benzofuran-7-amine
CID 171738749

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-N-phenylaniline?
The IUPAC name of N-(4-dibenzothiophen-4-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-N-phenylaniline (CID 170033343) is N-(4-dibenzothiophen-4-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-N-phenylaniline.
What is the SMILES notation for N-(4-dibenzothiophen-4-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-N-phenylaniline?
The canonical SMILES for N-(4-dibenzothiophen-4-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-N-phenylaniline is c1ccc(N(c2ccc(-c3cccc4c3oc3ccc5ccccc5c34)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)cc1.
What is the InChIKey of N-(4-dibenzothiophen-4-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-N-phenylaniline?
The InChIKey is RXBAYIVKGDXMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NOS/c1-2-11-33(12-3-1)47(35-27-22-32(23-28-35)38-16-9-17-40-39-14-6-7-19-43(39)49-46(38)40)34-25-20-31(21-26-34)37-15-8-18-41-44-36-13-5-4-10-30(36)24-29-42(44)48-45(37)41/h1-29H.
What are the key properties of N-(4-dibenzothiophen-4-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-N-phenylaniline?
N-(4-dibenzothiophen-4-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-8-yl-N-phenylaniline has a molecular weight of 643.81 g/mol, XLogP of 13.91, 5 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)-4-naphtho[2,1-b][1]benzofuran-8-yl-N-phenylaniline is sourced from PubChem (CID 170033343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).