2-dibenzothiophen-4-yl-6-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-1,2-dihydropyrimidine

C44H28N2OS — CID 170270335

IUPAC2-dibenzothiophen-4-yl-6-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-1,2-dihydropyrimidine
SMILESC1=C(c2cccc3oc4c(-c5ccc6ccccc6c5)cccc4c23)NC(c2cccc3c2sc2ccccc23)N=C1c1ccccc1
InChIInChI=1S/C44H28N2OS/c1-2-12-28(13-3-1)37-26-38(46-44(45-37)36-20-9-17-33-32-15-6-7-22-40(32)48-43(33)36)34-18-10-21-39-41(34)35-19-8-16-31(42(35)47-39)30-24-23-27-11-4-5-14-29(27)25-30/h1-26,44,46H
InChIKeyMDDVWGOWXHGAHR-UHFFFAOYSA-N
MW632.79 g/mol
LogP11.91
Rot. Bonds4

About 2-dibenzothiophen-4-yl-6-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-1,2-dihydropyrimidine

2-dibenzothiophen-4-yl-6-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-1,2-dihydropyrimidine (PubChem CID 170270335) has the molecular formula C44H28N2OS and a molecular weight of 632.79 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-6-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-1,2-dihydropyrimidine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-6-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-1,2-dihydropyrimidine
PubChem CID170270335
Molecular FormulaC44H28N2OS
Molecular Weight632.79 g/mol
Exact Mass632.19
IUPAC Name2-dibenzothiophen-4-yl-6-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-1,2-dihydropyrimidine
SMILESC1=C(c2cccc3oc4c(-c5ccc6ccccc6c5)cccc4c23)NC(c2cccc3c2sc2ccccc23)N=C1c1ccccc1
InChIInChI=1S/C44H28N2OS/c1-2-12-28(13-3-1)37-26-38(46-44(45-37)36-20-9-17-33-32-15-6-7-22-40(32)48-43(33)36)34-18-10-21-39-41(34)35-19-8-16-31(42(35)47-39)30-24-23-27-11-4-5-14-29(27)25-30/h1-26,44,46H
InChIKeyMDDVWGOWXHGAHR-UHFFFAOYSA-N
XLogP11.91
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.79
LogP ≤ 511.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-2-yl-4-(6-naphtho[1,2-b][1]benzothiol-5-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743231
6-(6-dibenzothiophen-2-ylnaphtho[2,1-b][1]benzofuran-10-yl)-4-phenyl-2-(4-phenylphenyl)-1,2-dihydropyrimidine
CID 156558256
2-dibenzothiophen-4-yl-4-[4-(6-naphthalen-2-yldibenzofuran-1-yl)naphthalen-2-yl]-6-phenanthren-3-yl-1,3,5-triazine
CID 166743508
9-(6-dibenzothiophen-4-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-4-yl)-6-naphthalen-2-yl-[1]benzofuro[3,2-b]pyridine
CID 166801972
4-(7-phenylnaphthalen-2-yl)-2-[6-(3-phenylphenyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 170091950
4-naphthalen-2-yl-2-[6-(3-phenanthren-9-ylphenyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 170091875
2-(4-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazine
CID 166741703
2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2-dihydro-1,3,5-triazine
CID 142342927
2-dibenzothiophen-1-yl-4-(7-dibenzothiophen-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 170250309
2-[8-(4-naphthalen-2-ylphenyl)naphtho[2,1-b][1]benzofuran-5-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 156558162
2-dibenzothiophen-1-yl-6-[7-[8-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]naphthalen-2-yl]-4-phenyl-1,2-dihydro-1,3,5-triazine
CID 167029862
2-(6-naphthalen-2-yldibenzofuran-1-yl)-4-(2-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-6-phenyl-1,3,5-triazine;2-(6-naphthalen-1-yldibenzofuran-1-yl)-4-naphtho[1,2-b][1]benzothiol-9-yl-6-phenyl-1,3,5-triazine;2-naphtho[1,2-b][1]benzothiol-5-yl-4-phenyl-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-(2-naphtho[1,2-b][1]benzothiol-10-ylphenyl)-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 163759628

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-6-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-1,2-dihydropyrimidine?
The IUPAC name of 2-dibenzothiophen-4-yl-6-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-1,2-dihydropyrimidine (CID 170270335) is 2-dibenzothiophen-4-yl-6-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-1,2-dihydropyrimidine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-6-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-1,2-dihydropyrimidine?
The canonical SMILES for 2-dibenzothiophen-4-yl-6-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-1,2-dihydropyrimidine is C1=C(c2cccc3oc4c(-c5ccc6ccccc6c5)cccc4c23)NC(c2cccc3c2sc2ccccc23)N=C1c1ccccc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-6-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-1,2-dihydropyrimidine?
The InChIKey is MDDVWGOWXHGAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N2OS/c1-2-12-28(13-3-1)37-26-38(46-44(45-37)36-20-9-17-33-32-15-6-7-22-40(32)48-43(33)36)34-18-10-21-39-41(34)35-19-8-16-31(42(35)47-39)30-24-23-27-11-4-5-14-29(27)25-30/h1-26,44,46H.
What are the key properties of 2-dibenzothiophen-4-yl-6-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-1,2-dihydropyrimidine?
2-dibenzothiophen-4-yl-6-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-1,2-dihydropyrimidine has a molecular weight of 632.79 g/mol, XLogP of 11.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-6-(6-naphthalen-2-yldibenzofuran-1-yl)-4-phenyl-1,2-dihydropyrimidine is sourced from PubChem (CID 170270335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).