N-[4-[5-(4,6-diphenylpyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N,4-diphenylaniline

C56H37N3O — CID 166975163

IUPACN-[4-[5-(4,6-diphenylpyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5oc6c7ccccc7c(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)cc6c45)cc3)cc2)cc1
InChIInChI=1S/C56H37N3O/c1-5-16-38(17-6-1)39-28-32-44(33-29-39)59(43-22-11-4-12-23-43)45-34-30-40(31-35-45)46-26-15-27-53-54(46)50-36-49(47-24-13-14-25-48(47)55(50)60-53)56-57-51(41-18-7-2-8-19-41)37-52(58-56)42-20-9-3-10-21-42/h1-37H
InChIKeySKPKKJVQKVROGX-UHFFFAOYSA-N
MW767.93 g/mol
LogP15.33
Rot. Bonds8

About N-[4-[5-(4,6-diphenylpyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N,4-diphenylaniline

N-[4-[5-(4,6-diphenylpyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N,4-diphenylaniline (PubChem CID 166975163) has the molecular formula C56H37N3O and a molecular weight of 767.93 g/mol. Its IUPAC name is N-[4-[5-(4,6-diphenylpyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[5-(4,6-diphenylpyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N,4-diphenylaniline
PubChem CID166975163
Molecular FormulaC56H37N3O
Molecular Weight767.93 g/mol
Exact Mass767.29
IUPAC NameN-[4-[5-(4,6-diphenylpyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5oc6c7ccccc7c(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)cc6c45)cc3)cc2)cc1
InChIInChI=1S/C56H37N3O/c1-5-16-38(17-6-1)39-28-32-44(33-29-39)59(43-22-11-4-12-23-43)45-34-30-40(31-35-45)46-26-15-27-53-54(46)50-36-49(47-24-13-14-25-48(47)55(50)60-53)56-57-51(41-18-7-2-8-19-41)37-52(58-56)42-20-9-3-10-21-42/h1-37H
InChIKeySKPKKJVQKVROGX-UHFFFAOYSA-N
XLogP15.33
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.93
LogP ≤ 515.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-5-yl]phenyl]-N,4-diphenylaniline
CID 167556032
4-phenyl-N-(4-phenylphenyl)-N-[4-[5-(2-phenylphenyl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]aniline
CID 155423361
7-[4-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423690
2-dibenzofuran-4-yl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818511
4,6-diphenyl-2-[4-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 164835133
4-dibenzofuran-4-yl-6-phenyl-2-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 176818034
4-[4-(7-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 164835215
4-[4-(5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 164835257
4-[9-(2,6-diphenylpyrimidin-4-yl)naphtho[1,2-b][1]benzofuran-5-yl]-N,N-diphenylaniline
CID 166974572
2,4-dinaphthalen-1-yl-6-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-1,3,5-triazine
CID 169048730
N-(2-phenylphenyl)-N,7-bis(4-phenylphenyl)naphtho[1,2-b][1]benzofuran-5-amine
CID 155423438
7-phenyl-N-(2-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-5-amine
CID 155423526

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4,6-diphenylpyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-[5-(4,6-diphenylpyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N,4-diphenylaniline (CID 166975163) is N-[4-[5-(4,6-diphenylpyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-[5-(4,6-diphenylpyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-[5-(4,6-diphenylpyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cccc5oc6c7ccccc7c(-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)cc6c45)cc3)cc2)cc1.
What is the InChIKey of N-[4-[5-(4,6-diphenylpyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N,4-diphenylaniline?
The InChIKey is SKPKKJVQKVROGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N3O/c1-5-16-38(17-6-1)39-28-32-44(33-29-39)59(43-22-11-4-12-23-43)45-34-30-40(31-35-45)46-26-15-27-53-54(46)50-36-49(47-24-13-14-25-48(47)55(50)60-53)56-57-51(41-18-7-2-8-19-41)37-52(58-56)42-20-9-3-10-21-42/h1-37H.
What are the key properties of N-[4-[5-(4,6-diphenylpyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N,4-diphenylaniline?
N-[4-[5-(4,6-diphenylpyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N,4-diphenylaniline has a molecular weight of 767.93 g/mol, XLogP of 15.33, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4,6-diphenylpyrimidin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 166975163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).