6-(4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine

C48H29N3OS — CID 167543413

IUPAC6-(4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3oc4c5ccccc5cc(-c5nc(-c6ccc7ccccc7c6)c6sc7ccccc7c6n5)c4c3c2)cc1
InChIInChI=1S/C48H29N3OS/c1-3-16-34(17-4-1)51(35-18-5-2-6-19-35)36-25-26-41-39(29-36)43-40(28-32-15-9-10-20-37(32)46(43)52-41)48-49-44(33-24-23-30-13-7-8-14-31(30)27-33)47-45(50-48)38-21-11-12-22-42(38)53-47/h1-29H
InChIKeyBHNRGOXKBGRJOJ-UHFFFAOYSA-N
MW695.85 g/mol
LogP13.85
Rot. Bonds5

About 6-(4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine

6-(4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine (PubChem CID 167543413) has the molecular formula C48H29N3OS and a molecular weight of 695.85 g/mol. Its IUPAC name is 6-(4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine.

Molecular Properties

Compound Name6-(4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine
PubChem CID167543413
Molecular FormulaC48H29N3OS
Molecular Weight695.85 g/mol
Exact Mass695.20
IUPAC Name6-(4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3oc4c5ccccc5cc(-c5nc(-c6ccc7ccccc7c6)c6sc7ccccc7c6n5)c4c3c2)cc1
InChIInChI=1S/C48H29N3OS/c1-3-16-34(17-4-1)51(35-18-5-2-6-19-35)36-25-26-41-39(29-36)43-40(28-32-15-9-10-20-37(32)46(43)52-41)48-49-44(33-24-23-30-13-7-8-14-31(30)27-33)47-45(50-48)38-21-11-12-22-42(38)53-47/h1-29H
InChIKeyBHNRGOXKBGRJOJ-UHFFFAOYSA-N
XLogP13.85
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.85
LogP ≤ 513.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine with MolForge

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Related Compounds

N,N-diphenyl-5-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;N,N-diphenyl-5-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-7-amine;5-(4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine;5-(4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-7-amine
CID 167587556
4-naphthalen-2-yl-2-(3-naphthalen-2-yl-8-phenyldibenzofuran-1-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 170092715
4-naphthalen-2-yl-2-[4-(4-phenylphenyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 170092022
4-naphthalen-2-yl-2-[4-(3-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 170092018
4-naphthalen-2-yl-2-[4-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 166975067
6-dibenzothiophen-1-yl-N-(4-naphthalen-2-ylphenyl)-N-phenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 167339368
N,N-dinaphthalen-2-yl-1-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)dibenzofuran-3-amine
CID 166974628
4-(4-naphthalen-2-ylphenyl)-2-(6-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 169048819
4-naphthalen-2-yl-2-(8-phenyldibenzofuran-1-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 170091735
2-dibenzofuran-4-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 170092362
2-(8-carbazol-9-ylnaphtho[1,2-b][1]benzofuran-6-yl)-5-phenylpyrimido[5,4-b]indole;N,N-diphenyl-6-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;N,N-diphenyl-6-(5-phenylpyrimido[5,4-b]indol-2-yl)naphtho[1,2-b][1]benzofuran-8-amine;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine
CID 167565179
N-naphthalen-2-yl-8-(4-phenyl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-N-(3-phenylphenyl)dibenzofuran-3-amine
CID 176817691

Frequently Asked Questions

What is the IUPAC name of 6-(4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine?
The IUPAC name of 6-(4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine (CID 167543413) is 6-(4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine.
What is the SMILES notation for 6-(4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine?
The canonical SMILES for 6-(4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine is c1ccc(N(c2ccccc2)c2ccc3oc4c5ccccc5cc(-c5nc(-c6ccc7ccccc7c6)c6sc7ccccc7c6n5)c4c3c2)cc1.
What is the InChIKey of 6-(4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine?
The InChIKey is BHNRGOXKBGRJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3OS/c1-3-16-34(17-4-1)51(35-18-5-2-6-19-35)36-25-26-41-39(29-36)43-40(28-32-15-9-10-20-37(32)46(43)52-41)48-49-44(33-24-23-30-13-7-8-14-31(30)27-33)47-45(50-48)38-21-11-12-22-42(38)53-47/h1-29H.
What are the key properties of 6-(4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine?
6-(4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine has a molecular weight of 695.85 g/mol, XLogP of 13.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-8-amine is sourced from PubChem (CID 167543413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).