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

C44H27NOS — CID 167329695

IUPACN-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(N(c2ccc3sc4ccccc4c3c2)c2cccc3ccccc23)c(-c2cccc3oc4c5ccccc5ccc4c23)c1
InChIInChI=1S/C44H27NOS/c1-3-14-31-28(11-1)13-9-20-38(31)45(30-24-26-42-37(27-30)34-17-6-8-22-41(34)47-42)39-19-7-5-16-33(39)35-18-10-21-40-43(35)36-25-23-29-12-2-4-15-32(29)44(36)46-40/h1-27H
InChIKeyRNGWZWCHPRXLEX-UHFFFAOYSA-N
MW617.77 g/mol
LogP13.40
Rot. Bonds4

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

N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-2-amine (PubChem CID 167329695) has the molecular formula C44H27NOS and a molecular weight of 617.77 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-2-amine
PubChem CID167329695
Molecular FormulaC44H27NOS
Molecular Weight617.77 g/mol
Exact Mass617.18
IUPAC NameN-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-2-amine
SMILESc1ccc(N(c2ccc3sc4ccccc4c3c2)c2cccc3ccccc23)c(-c2cccc3oc4c5ccccc5ccc4c23)c1
InChIInChI=1S/C44H27NOS/c1-3-14-31-28(11-1)13-9-20-38(31)45(30-24-26-42-37(27-30)34-17-6-8-22-41(34)47-42)39-19-7-5-16-33(39)35-18-10-21-40-43(35)36-25-23-29-12-2-4-15-32(29)44(36)46-40/h1-27H
InChIKeyRNGWZWCHPRXLEX-UHFFFAOYSA-N
XLogP13.40
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.77
LogP ≤ 513.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
CID 166939739
N-(4-dibenzothiophen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 167330057
N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzofuran-2-amine
CID 167329955
N-(3-dibenzothiophen-2-ylphenyl)-N-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738238
N-dibenzothiophen-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739402
N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzothiophen-3-amine
CID 166939205
N-(4-dibenzothiophen-4-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
CID 166939738
N-(3-naphthalen-2-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-2-amine
CID 166939608
N-dibenzofuran-1-yl-N-(2-dibenzothiophen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738791
N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(2-phenylphenyl)dibenzothiophen-4-amine
CID 167331011
2-dibenzofuran-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)aniline
CID 160994934
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 N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-2-amine?
The IUPAC name of N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-2-amine (CID 167329695) is N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-2-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-2-amine is c1ccc(N(c2ccc3sc4ccccc4c3c2)c2cccc3ccccc23)c(-c2cccc3oc4c5ccccc5ccc4c23)c1.
What is the InChIKey of N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-2-amine?
The InChIKey is RNGWZWCHPRXLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NOS/c1-3-14-31-28(11-1)13-9-20-38(31)45(30-24-26-42-37(27-30)34-17-6-8-22-41(34)47-42)39-19-7-5-16-33(39)35-18-10-21-40-43(35)36-25-23-29-12-2-4-15-32(29)44(36)46-40/h1-27H.
What are the key properties of N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-2-amine?
N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-2-amine has a molecular weight of 617.77 g/mol, XLogP of 13.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)dibenzothiophen-2-amine is sourced from PubChem (CID 167329695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).