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

C50H31NOS — CID 171738192

IUPACN-(2-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3oc4c5ccccc5ccc4c23)c(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C50H31NOS/c1-2-13-35-31-36(24-23-32(35)11-1)33-25-28-37(29-26-33)51(44-19-10-20-45-49(44)42-30-27-34-12-3-4-14-38(34)50(42)52-45)43-18-7-5-15-39(43)40-17-9-22-47-48(40)41-16-6-8-21-46(41)53-47/h1-31H
InChIKeyISUDMAVYNRWICQ-UHFFFAOYSA-N
MW693.87 g/mol
LogP15.06
Rot. Bonds5

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

N-(2-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (PubChem CID 171738192) has the molecular formula C50H31NOS and a molecular weight of 693.87 g/mol. Its IUPAC name is N-(2-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
PubChem CID171738192
Molecular FormulaC50H31NOS
Molecular Weight693.87 g/mol
Exact Mass693.21
IUPAC NameN-(2-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
SMILESc1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3oc4c5ccccc5ccc4c23)c(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C50H31NOS/c1-2-13-35-31-36(24-23-32(35)11-1)33-25-28-37(29-26-33)51(44-19-10-20-45-49(44)42-30-27-34-12-3-4-14-38(34)50(42)52-45)43-18-7-5-15-39(43)40-17-9-22-47-48(40)41-16-6-8-21-46(41)53-47/h1-31H
InChIKeyISUDMAVYNRWICQ-UHFFFAOYSA-N
XLogP15.06
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.87
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-(4-naphthalen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 167329404
N-(4-dibenzothiophen-2-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-2-phenylaniline
CID 166939739
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-2-naphtho[1,2-b][1]benzofuran-7-ylaniline
CID 167330356
N-(4-dibenzothiophen-2-ylphenyl)-2-naphtho[1,2-b][1]benzofuran-7-yl-N-phenylaniline
CID 167330057
N-(2-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-N-(4-phenanthren-2-ylphenyl)dibenzothiophen-3-amine
CID 166939205
N-dibenzothiophen-1-yl-N-(2,4-diphenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738264
N-(2-dibenzofuran-1-ylphenyl)-N-(4-phenanthren-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739178
N-(2,4-diphenylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171737725
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-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171738717
N,N-bis(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 170272791

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The IUPAC name of N-(2-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine (CID 171738192) is N-(2-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine.
What is the SMILES notation for N-(2-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The canonical SMILES for N-(2-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is c1ccc(N(c2ccc(-c3ccc4ccccc4c3)cc2)c2cccc3oc4c5ccccc5ccc4c23)c(-c2cccc3sc4ccccc4c23)c1.
What is the InChIKey of N-(2-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
The InChIKey is ISUDMAVYNRWICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31NOS/c1-2-13-35-31-36(24-23-32(35)11-1)33-25-28-37(29-26-33)51(44-19-10-20-45-49(44)42-30-27-34-12-3-4-14-38(34)50(42)52-45)43-18-7-5-15-39(43)40-17-9-22-47-48(40)41-16-6-8-21-46(41)53-47/h1-31H.
What are the key properties of N-(2-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine?
N-(2-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine has a molecular weight of 693.87 g/mol, XLogP of 15.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine is sourced from PubChem (CID 171738192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).