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

C46H27NOS2 — CID 171739302

IUPACN-dibenzothiophen-4-yl-N-(2-dibenzothiophen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(N(c2cccc3c2sc2ccccc23)c2cccc3oc4c5ccccc5ccc4c23)c(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C46H27NOS2/c1-2-13-29-28(12-1)26-27-35-44-37(20-11-22-39(44)48-45(29)35)47(38-21-9-18-33-31-15-4-7-23-40(31)50-46(33)38)36-19-6-3-14-30(36)32-17-10-25-42-43(32)34-16-5-8-24-41(34)49-42/h1-27H
InChIKeyHWQXICVIPYHDLQ-UHFFFAOYSA-N
MW673.86 g/mol
LogP14.61
Rot. Bonds4

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

N-dibenzothiophen-4-yl-N-(2-dibenzothiophen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171739302) has the molecular formula C46H27NOS2 and a molecular weight of 673.86 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-N-(2-dibenzothiophen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-N-(2-dibenzothiophen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171739302
Molecular FormulaC46H27NOS2
Molecular Weight673.86 g/mol
Exact Mass673.15
IUPAC NameN-dibenzothiophen-4-yl-N-(2-dibenzothiophen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(N(c2cccc3c2sc2ccccc23)c2cccc3oc4c5ccccc5ccc4c23)c(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C46H27NOS2/c1-2-13-29-28(12-1)26-27-35-44-37(20-11-22-39(44)48-45(29)35)47(38-21-9-18-33-31-15-4-7-23-40(31)50-46(33)38)36-19-6-3-14-30(36)32-17-10-25-42-43(32)34-16-5-8-24-41(34)49-42/h1-27H
InChIKeyHWQXICVIPYHDLQ-UHFFFAOYSA-N
XLogP14.61
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.86
LogP ≤ 514.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739542
N-dibenzothiophen-4-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171738816
N-(2-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738192
N-(2-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 155623993
N-(4-dibenzothiophen-4-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
CID 166939738
N-(4-dibenzothiophen-4-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167329482
N-dibenzofuran-1-yl-N-(2-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738791
N-dibenzofuran-1-yl-N-(4-dibenzothiophen-4-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737320
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)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171737260
N-dibenzothiophen-1-yl-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738264
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 167331011

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-N-(2-dibenzothiophen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-dibenzothiophen-4-yl-N-(2-dibenzothiophen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 171739302) is N-dibenzothiophen-4-yl-N-(2-dibenzothiophen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-N-(2-dibenzothiophen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-N-(2-dibenzothiophen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(N(c2cccc3c2sc2ccccc23)c2cccc3oc4c5ccccc5ccc4c23)c(-c2cccc3sc4ccccc4c23)c1.
What is the InChIKey of N-dibenzothiophen-4-yl-N-(2-dibenzothiophen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is HWQXICVIPYHDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27NOS2/c1-2-13-29-28(12-1)26-27-35-44-37(20-11-22-39(44)48-45(29)35)47(38-21-9-18-33-31-15-4-7-23-40(31)50-46(33)38)36-19-6-3-14-30(36)32-17-10-25-42-43(32)34-16-5-8-24-41(34)49-42/h1-27H.
What are the key properties of N-dibenzothiophen-4-yl-N-(2-dibenzothiophen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
N-dibenzothiophen-4-yl-N-(2-dibenzothiophen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 673.86 g/mol, XLogP of 14.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-N-(2-dibenzothiophen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171739302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).