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

C40H25NOS — CID 171738819

IUPACN-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(N(c2cccc(-c3cccc4sc5ccccc5c34)c2)c2cccc3oc4c5ccccc5ccc4c23)cc1
InChIInChI=1S/C40H25NOS/c1-2-13-28(14-3-1)41(34-19-10-20-35-39(34)33-24-23-26-11-4-5-16-31(26)40(33)42-35)29-15-8-12-27(25-29)30-18-9-22-37-38(30)32-17-6-7-21-36(32)43-37/h1-25H
InChIKeyPHAHNLSCGNSHHQ-UHFFFAOYSA-N
MW567.71 g/mol
LogP12.24
Rot. Bonds4

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

N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171738819) has the molecular formula C40H25NOS and a molecular weight of 567.71 g/mol. Its IUPAC name is N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171738819
Molecular FormulaC40H25NOS
Molecular Weight567.71 g/mol
Exact Mass567.17
IUPAC NameN-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(N(c2cccc(-c3cccc4sc5ccccc5c34)c2)c2cccc3oc4c5ccccc5ccc4c23)cc1
InChIInChI=1S/C40H25NOS/c1-2-13-28(14-3-1)41(34-19-10-20-35-39(34)33-24-23-26-11-4-5-16-31(26)40(33)42-35)29-15-8-12-27(25-29)30-18-9-22-37-38(30)32-17-6-7-21-36(32)43-37/h1-25H
InChIKeyPHAHNLSCGNSHHQ-UHFFFAOYSA-N
XLogP12.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.71
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzothiophen-1-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738717
N-(3-phenylphenyl)-N-(2,3,5,6-tetradeuterio-4-dibenzothiophen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738490
3-dibenzothiophen-1-yl-N-(4-naphthalen-1-ylphenyl)-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)aniline
CID 166939164
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 163799851
N-dibenzothiophen-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739402
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739447
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-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-3-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330248
N-(3-dibenzothiophen-1-ylphenyl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737389
N-(3-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 167277971
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 167331126
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 148814620

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine (CID 171738819) is N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine is c1ccc(N(c2cccc(-c3cccc4sc5ccccc5c34)c2)c2cccc3oc4c5ccccc5ccc4c23)cc1.
What is the InChIKey of N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is PHAHNLSCGNSHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25NOS/c1-2-13-28(14-3-1)41(34-19-10-20-35-39(34)33-24-23-26-11-4-5-16-31(26)40(33)42-35)29-15-8-12-27(25-29)30-18-9-22-37-38(30)32-17-6-7-21-36(32)43-37/h1-25H.
What are the key properties of N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine?
N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 567.71 g/mol, XLogP of 12.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzothiophen-1-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171738819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).