6-(6-dibenzothiophen-2-ylnaphtho[2,1-b][1]benzofuran-10-yl)-4-phenyl-2-(4-phenylphenyl)-1,2-dihydropyrimidine

C50H32N2OS — CID 156558256

IUPAC6-(6-dibenzothiophen-2-ylnaphtho[2,1-b][1]benzofuran-10-yl)-4-phenyl-2-(4-phenylphenyl)-1,2-dihydropyrimidine
SMILESC1=C(c2ccc3oc4c(-c5ccc6sc7ccccc7c6c5)cc5ccccc5c4c3c2)NC(c2ccc(-c3ccccc3)cc2)N=C1c1ccccc1
InChIInChI=1S/C50H32N2OS/c1-3-11-31(12-4-1)32-19-21-34(22-20-32)50-51-43(33-13-5-2-6-14-33)30-44(52-50)37-23-25-45-42(29-37)48-38-16-8-7-15-35(38)27-40(49(48)53-45)36-24-26-47-41(28-36)39-17-9-10-18-46(39)54-47/h1-30,50,52H
InChIKeyPHTFWSDYWSPUGU-UHFFFAOYSA-N
MW708.89 g/mol
LogP13.57
Rot. Bonds5

About 6-(6-dibenzothiophen-2-ylnaphtho[2,1-b][1]benzofuran-10-yl)-4-phenyl-2-(4-phenylphenyl)-1,2-dihydropyrimidine

6-(6-dibenzothiophen-2-ylnaphtho[2,1-b][1]benzofuran-10-yl)-4-phenyl-2-(4-phenylphenyl)-1,2-dihydropyrimidine (PubChem CID 156558256) has the molecular formula C50H32N2OS and a molecular weight of 708.89 g/mol. Its IUPAC name is 6-(6-dibenzothiophen-2-ylnaphtho[2,1-b][1]benzofuran-10-yl)-4-phenyl-2-(4-phenylphenyl)-1,2-dihydropyrimidine.

Molecular Properties

Compound Name6-(6-dibenzothiophen-2-ylnaphtho[2,1-b][1]benzofuran-10-yl)-4-phenyl-2-(4-phenylphenyl)-1,2-dihydropyrimidine
PubChem CID156558256
Molecular FormulaC50H32N2OS
Molecular Weight708.89 g/mol
Exact Mass708.22
IUPAC Name6-(6-dibenzothiophen-2-ylnaphtho[2,1-b][1]benzofuran-10-yl)-4-phenyl-2-(4-phenylphenyl)-1,2-dihydropyrimidine
SMILESC1=C(c2ccc3oc4c(-c5ccc6sc7ccccc7c6c5)cc5ccccc5c4c3c2)NC(c2ccc(-c3ccccc3)cc2)N=C1c1ccccc1
InChIInChI=1S/C50H32N2OS/c1-3-11-31(12-4-1)32-19-21-34(22-20-32)50-51-43(33-13-5-2-6-14-33)30-44(52-50)37-23-25-45-42(29-37)48-38-16-8-7-15-35(38)27-40(49(48)53-45)36-24-26-47-41(28-36)39-17-9-10-18-46(39)54-47/h1-30,50,52H
InChIKeyPHTFWSDYWSPUGU-UHFFFAOYSA-N
XLogP13.57
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.89
LogP ≤ 513.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(6-dibenzothiophen-2-ylnaphtho[2,1-b][1]benzofuran-10-yl)-4-phenyl-2-(4-phenylphenyl)-1,2-dihydropyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(6-dibenzothiophen-2-ylnaphtho[2,1-b][1]benzofuran-10-yl)-4-phenyl-2-(4-phenylphenyl)-1,2-dihydropyrimidine?
The IUPAC name of 6-(6-dibenzothiophen-2-ylnaphtho[2,1-b][1]benzofuran-10-yl)-4-phenyl-2-(4-phenylphenyl)-1,2-dihydropyrimidine (CID 156558256) is 6-(6-dibenzothiophen-2-ylnaphtho[2,1-b][1]benzofuran-10-yl)-4-phenyl-2-(4-phenylphenyl)-1,2-dihydropyrimidine.
What is the SMILES notation for 6-(6-dibenzothiophen-2-ylnaphtho[2,1-b][1]benzofuran-10-yl)-4-phenyl-2-(4-phenylphenyl)-1,2-dihydropyrimidine?
The canonical SMILES for 6-(6-dibenzothiophen-2-ylnaphtho[2,1-b][1]benzofuran-10-yl)-4-phenyl-2-(4-phenylphenyl)-1,2-dihydropyrimidine is C1=C(c2ccc3oc4c(-c5ccc6sc7ccccc7c6c5)cc5ccccc5c4c3c2)NC(c2ccc(-c3ccccc3)cc2)N=C1c1ccccc1.
What is the InChIKey of 6-(6-dibenzothiophen-2-ylnaphtho[2,1-b][1]benzofuran-10-yl)-4-phenyl-2-(4-phenylphenyl)-1,2-dihydropyrimidine?
The InChIKey is PHTFWSDYWSPUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2OS/c1-3-11-31(12-4-1)32-19-21-34(22-20-32)50-51-43(33-13-5-2-6-14-33)30-44(52-50)37-23-25-45-42(29-37)48-38-16-8-7-15-35(38)27-40(49(48)53-45)36-24-26-47-41(28-36)39-17-9-10-18-46(39)54-47/h1-30,50,52H.
What are the key properties of 6-(6-dibenzothiophen-2-ylnaphtho[2,1-b][1]benzofuran-10-yl)-4-phenyl-2-(4-phenylphenyl)-1,2-dihydropyrimidine?
6-(6-dibenzothiophen-2-ylnaphtho[2,1-b][1]benzofuran-10-yl)-4-phenyl-2-(4-phenylphenyl)-1,2-dihydropyrimidine has a molecular weight of 708.89 g/mol, XLogP of 13.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-dibenzothiophen-2-ylnaphtho[2,1-b][1]benzofuran-10-yl)-4-phenyl-2-(4-phenylphenyl)-1,2-dihydropyrimidine is sourced from PubChem (CID 156558256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).