N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine

C46H29NOS — CID 170033292

IUPACN-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)oc4ccc6ccccc6c45)cc3)c3ccc4c(c3)sc3ccccc34)c2)cc1
InChIInChI=1S/C46H29NOS/c1-2-9-30(10-3-1)33-12-8-13-36(27-33)47(37-23-25-40-39-15-6-7-16-44(39)49-45(40)29-37)35-21-17-31(18-22-35)34-19-24-41-43(28-34)48-42-26-20-32-11-4-5-14-38(32)46(41)42/h1-29H
InChIKeyKYONBGOOXRLPOA-UHFFFAOYSA-N
MW643.81 g/mol
LogP13.91
Rot. Bonds5

About N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine

N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine (PubChem CID 170033292) has the molecular formula C46H29NOS and a molecular weight of 643.81 g/mol. Its IUPAC name is N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine
PubChem CID170033292
Molecular FormulaC46H29NOS
Molecular Weight643.81 g/mol
Exact Mass643.20
IUPAC NameN-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine
SMILESc1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)oc4ccc6ccccc6c45)cc3)c3ccc4c(c3)sc3ccccc34)c2)cc1
InChIInChI=1S/C46H29NOS/c1-2-9-30(10-3-1)33-12-8-13-36(27-33)47(37-23-25-40-39-15-6-7-16-44(39)49-45(40)29-37)35-21-17-31(18-22-35)34-19-24-41-43(28-34)48-42-26-20-32-11-4-5-14-38(32)46(41)42/h1-29H
InChIKeyKYONBGOOXRLPOA-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

N-dibenzothiophen-3-yl-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-3-amine
CID 170032222
7-N-dibenzothiophen-3-yl-3-N,3-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-3,7-diamine
CID 146573933
N-(4-chrysen-2-ylphenyl)-N-(3-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 170140386
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine
CID 176781504
N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine
CID 170031524
7-N-dibenzothiophen-3-yl-2-N,7-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,7-diamine;7-N-dibenzothiophen-3-yl-7-N-(4-naphthalen-2-ylphenyl)-3-N,3-N-diphenyldibenzofuran-3,7-diamine;7-N-dibenzothiophen-3-yl-2-N,2-N,7-N-triphenyldibenzofuran-2,7-diamine
CID 158872648
N-dibenzothiophen-2-yl-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)dibenzothiophen-3-amine
CID 170031847
11-N-dibenzothiophen-3-yl-9-N,9-N-diphenyl-11-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9,11-diamine
CID 166856034
N-(4-benzo[c]phenanthren-2-ylphenyl)-3-dibenzothiophen-2-yl-N-phenylaniline
CID 167183579
3-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 168767536
N-(4-dibenzothiophen-3-ylphenyl)-3-(6-naphthalen-2-ylnaphthalen-2-yl)-N-phenylaniline
CID 174257627
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3-phenylaniline
CID 170031800

Frequently Asked Questions

What is the IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine?
The IUPAC name of N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine (CID 170033292) is N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine.
What is the SMILES notation for N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine?
The canonical SMILES for N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine is c1ccc(-c2cccc(N(c3ccc(-c4ccc5c(c4)oc4ccc6ccccc6c45)cc3)c3ccc4c(c3)sc3ccccc34)c2)cc1.
What is the InChIKey of N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine?
The InChIKey is KYONBGOOXRLPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NOS/c1-2-9-30(10-3-1)33-12-8-13-36(27-33)47(37-23-25-40-39-15-6-7-16-44(39)49-45(40)29-37)35-21-17-31(18-22-35)34-19-24-41-43(28-34)48-42-26-20-32-11-4-5-14-38(32)46(41)42/h1-29H.
What are the key properties of N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine?
N-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine 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-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-N-(3-phenylphenyl)dibenzothiophen-3-amine is sourced from PubChem (CID 170033292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).