5-(4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-10-amine

C48H29N3O2 — CID 167599561

IUPAC5-(4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2oc2c4ccccc4c(-c4nc(-c5ccc6ccccc6c5)c5oc6ccccc6c5n4)cc32)cc1
InChIInChI=1S/C48H29N3O2/c1-3-16-33(17-4-1)51(34-18-5-2-6-19-34)41-24-13-23-37-39-29-40(35-20-9-10-21-36(35)45(39)53-46(37)41)48-49-43(32-27-26-30-14-7-8-15-31(30)28-32)47-44(50-48)38-22-11-12-25-42(38)52-47/h1-29H
InChIKeyWWRLAFSIKLKSHR-UHFFFAOYSA-N
MW679.78 g/mol
LogP13.39
Rot. Bonds5

About 5-(4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-10-amine

5-(4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-10-amine (PubChem CID 167599561) has the molecular formula C48H29N3O2 and a molecular weight of 679.78 g/mol. Its IUPAC name is 5-(4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-10-amine.

Molecular Properties

Compound Name5-(4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-10-amine
PubChem CID167599561
Molecular FormulaC48H29N3O2
Molecular Weight679.78 g/mol
Exact Mass679.23
IUPAC Name5-(4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-10-amine
SMILESc1ccc(N(c2ccccc2)c2cccc3c2oc2c4ccccc4c(-c4nc(-c5ccc6ccccc6c5)c5oc6ccccc6c5n4)cc32)cc1
InChIInChI=1S/C48H29N3O2/c1-3-16-33(17-4-1)51(34-18-5-2-6-19-34)41-24-13-23-37-39-29-40(35-20-9-10-21-36(35)45(39)53-46(37)41)48-49-43(32-27-26-30-14-7-8-15-31(30)28-32)47-44(50-48)38-22-11-12-25-42(38)52-47/h1-29H
InChIKeyWWRLAFSIKLKSHR-UHFFFAOYSA-N
XLogP13.39
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.78
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-10-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
N-naphthalen-2-yl-N-phenyl-1-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]dibenzofuran-4-amine
CID 166974704
N,N-diphenyl-5-(4-phenylquinazolin-2-yl)naphtho[1,2-b][1]benzofuran-10-amine
CID 167626223
2-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 176817701
4-naphthalen-2-yl-2-[4-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 170092498
2-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 176817718
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 166566280
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396923
N-naphthalen-2-yl-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]dibenzofuran-4-amine
CID 172501495
2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 170092511
N-[3-naphthalen-2-yl-2-(6-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 177097122
N-(3-phenylphenyl)-N-[3-[3-(4-phenyl-N-(6-phenylnaphthalen-2-yl)anilino)phenyl]phenyl]dibenzofuran-4-amine
CID 167086684

Frequently Asked Questions

What is the IUPAC name of 5-(4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-10-amine?
The IUPAC name of 5-(4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-10-amine (CID 167599561) is 5-(4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-10-amine.
What is the SMILES notation for 5-(4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-10-amine?
The canonical SMILES for 5-(4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-10-amine is c1ccc(N(c2ccccc2)c2cccc3c2oc2c4ccccc4c(-c4nc(-c5ccc6ccccc6c5)c5oc6ccccc6c5n4)cc32)cc1.
What is the InChIKey of 5-(4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-10-amine?
The InChIKey is WWRLAFSIKLKSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3O2/c1-3-16-33(17-4-1)51(34-18-5-2-6-19-34)41-24-13-23-37-39-29-40(35-20-9-10-21-36(35)45(39)53-46(37)41)48-49-43(32-27-26-30-14-7-8-15-31(30)28-32)47-44(50-48)38-22-11-12-25-42(38)52-47/h1-29H.
What are the key properties of 5-(4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-10-amine?
5-(4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-10-amine has a molecular weight of 679.78 g/mol, XLogP of 13.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-naphthalen-2-yl-[1]benzofuro[3,2-d]pyrimidin-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-10-amine is sourced from PubChem (CID 167599561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).