7-(2,6-diphenylpyrimidin-4-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine

C46H31N3O — CID 170095426

IUPAC7-(2,6-diphenylpyrimidin-4-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4oc5cc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c4c3)cc2)cc1
InChIInChI=1S/C46H31N3O/c1-5-13-32(14-6-1)33-21-24-38(25-22-33)49(37-19-11-4-12-20-37)39-26-28-44-41(30-39)40-27-23-36(29-45(40)50-44)43-31-42(34-15-7-2-8-16-34)47-46(48-43)35-17-9-3-10-18-35/h1-31H
InChIKeyKVXBLGYVBRGWLB-UHFFFAOYSA-N
MW641.77 g/mol
LogP12.51
Rot. Bonds7

About 7-(2,6-diphenylpyrimidin-4-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine

7-(2,6-diphenylpyrimidin-4-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine (PubChem CID 170095426) has the molecular formula C46H31N3O and a molecular weight of 641.77 g/mol. Its IUPAC name is 7-(2,6-diphenylpyrimidin-4-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound Name7-(2,6-diphenylpyrimidin-4-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
PubChem CID170095426
Molecular FormulaC46H31N3O
Molecular Weight641.77 g/mol
Exact Mass641.25
IUPAC Name7-(2,6-diphenylpyrimidin-4-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc4oc5cc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c4c3)cc2)cc1
InChIInChI=1S/C46H31N3O/c1-5-13-32(14-6-1)33-21-24-38(25-22-33)49(37-19-11-4-12-20-37)39-26-28-44-41(30-39)40-27-23-36(29-45(40)50-44)43-31-42(34-15-7-2-8-16-34)47-46(48-43)35-17-9-3-10-18-35/h1-31H
InChIKeyKVXBLGYVBRGWLB-UHFFFAOYSA-N
XLogP12.51
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.77
LogP ≤ 512.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(2,6-diphenylpyrimidin-4-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095491
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170095126
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzofuran-2-amine
CID 170095080
7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 170095890
7-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 170383671
N,N,17-triphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-6-amine
CID 171049996
N-phenyl-N-[4-[8-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]naphthalen-2-amine
CID 170093374
2-N-dibenzofuran-3-yl-2-N,7-N-diphenyl-7-N-(4-phenylphenyl)dibenzofuran-2,7-diamine
CID 146576058
8-N-dibenzofuran-3-yl-2-N,8-N-diphenyl-2-N-(4-phenylphenyl)dibenzofuran-2,8-diamine
CID 146576028
2-N,8-N-diphenyl-2-N,8-N-bis[4-(N-(4-phenylphenyl)anilino)phenyl]dibenzofuran-2,8-diamine
CID 145264524
4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-yl)-2,6-diphenylpyrimidine
CID 138651146
4-dibenzofuran-3-yl-6-[4-(3,5-diphenylphenyl)phenyl]-2-phenylpyrimidine
CID 138659621

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-diphenylpyrimidin-4-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of 7-(2,6-diphenylpyrimidin-4-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine (CID 170095426) is 7-(2,6-diphenylpyrimidin-4-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for 7-(2,6-diphenylpyrimidin-4-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for 7-(2,6-diphenylpyrimidin-4-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(N(c3ccccc3)c3ccc4oc5cc(-c6cc(-c7ccccc7)nc(-c7ccccc7)n6)ccc5c4c3)cc2)cc1.
What is the InChIKey of 7-(2,6-diphenylpyrimidin-4-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is KVXBLGYVBRGWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3O/c1-5-13-32(14-6-1)33-21-24-38(25-22-33)49(37-19-11-4-12-20-37)39-26-28-44-41(30-39)40-27-23-36(29-45(40)50-44)43-31-42(34-15-7-2-8-16-34)47-46(48-43)35-17-9-3-10-18-35/h1-31H.
What are the key properties of 7-(2,6-diphenylpyrimidin-4-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine?
7-(2,6-diphenylpyrimidin-4-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 641.77 g/mol, XLogP of 12.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-diphenylpyrimidin-4-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 170095426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).