2-(7-dibenzofuran-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,6-dihydropyrimidine

C40H26N2O2 — CID 166961446

IUPAC2-(7-dibenzofuran-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,6-dihydropyrimidine
SMILESC1=C(c2ccccc2)N=C(c2ccc3c(c2)oc2cc(-c4ccc5oc6ccccc6c5c4)ccc23)NC1c1ccccc1
InChIInChI=1S/C40H26N2O2/c1-3-9-25(10-4-1)34-24-35(26-11-5-2-6-12-26)42-40(41-34)29-16-19-32-31-18-15-28(22-38(31)44-39(32)23-29)27-17-20-37-33(21-27)30-13-7-8-14-36(30)43-37/h1-24,34H,(H,41,42)
InChIKeyXQMNFZTYFJQPQZ-UHFFFAOYSA-N
MW566.66 g/mol
LogP10.28
Rot. Bonds4

About 2-(7-dibenzofuran-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,6-dihydropyrimidine

2-(7-dibenzofuran-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,6-dihydropyrimidine (PubChem CID 166961446) has the molecular formula C40H26N2O2 and a molecular weight of 566.66 g/mol. Its IUPAC name is 2-(7-dibenzofuran-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,6-dihydropyrimidine.

Molecular Properties

Compound Name2-(7-dibenzofuran-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,6-dihydropyrimidine
PubChem CID166961446
Molecular FormulaC40H26N2O2
Molecular Weight566.66 g/mol
Exact Mass566.20
IUPAC Name2-(7-dibenzofuran-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,6-dihydropyrimidine
SMILESC1=C(c2ccccc2)N=C(c2ccc3c(c2)oc2cc(-c4ccc5oc6ccccc6c5c4)ccc23)NC1c1ccccc1
InChIInChI=1S/C40H26N2O2/c1-3-9-25(10-4-1)34-24-35(26-11-5-2-6-12-26)42-40(41-34)29-16-19-32-31-18-15-28(22-38(31)44-39(32)23-29)27-17-20-37-33(21-27)30-13-7-8-14-36(30)43-37/h1-24,34H,(H,41,42)
InChIKeyXQMNFZTYFJQPQZ-UHFFFAOYSA-N
XLogP10.28
TPSA50.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.66
LogP ≤ 510.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(7-dibenzofuran-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,6-dihydropyrimidine with MolForge

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Related Compounds

4-[3-[17-[3-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]-2,6-diphenyl-1,6-dihydropyrimidine
CID 143904743
4-dibenzofuran-2-yl-2-phenyl-6-[8-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran-3-yl]-1,2-dihydro-1,3,5-triazine
CID 155002341
2,6-diphenyl-4-[3-[3-(8-triphenylen-2-yldibenzofuran-3-yl)phenyl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 146407693
4-dibenzofuran-3-yl-6-phenyl-2-[2-[(9R)-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-yl]phenyl]-1,6-dihydropyrimidine
CID 137181454
2-(7-dibenzofuran-3-yldibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953288
N-[4-[1-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)dibenzofuran-3-yl]phenyl]-N,4-diphenylaniline
CID 166974617
7-[3-[3-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)phenyl]phenyl]-11,12-dihydrophenanthro[9,10-b]pyridine
CID 137307548
2-dibenzofuran-3-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166953269
2-[7-(4-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009557
2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167029928
7-[3-[17-[3-(2,4-diphenyl-1,6-dihydropyrimidin-6-yl)phenyl]-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-6-yl]phenyl]-3,4-dimethyl-2,5-diphenyl-3H-azepine
CID 143904808
2-dibenzofuran-3-yl-4-(10-dibenzofuran-2-yltriphenylen-2-yl)-6-phenyl-1,3,5-triazine
CID 166925795

Frequently Asked Questions

What is the IUPAC name of 2-(7-dibenzofuran-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,6-dihydropyrimidine?
The IUPAC name of 2-(7-dibenzofuran-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,6-dihydropyrimidine (CID 166961446) is 2-(7-dibenzofuran-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,6-dihydropyrimidine.
What is the SMILES notation for 2-(7-dibenzofuran-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,6-dihydropyrimidine?
The canonical SMILES for 2-(7-dibenzofuran-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,6-dihydropyrimidine is C1=C(c2ccccc2)N=C(c2ccc3c(c2)oc2cc(-c4ccc5oc6ccccc6c5c4)ccc23)NC1c1ccccc1.
What is the InChIKey of 2-(7-dibenzofuran-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,6-dihydropyrimidine?
The InChIKey is XQMNFZTYFJQPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N2O2/c1-3-9-25(10-4-1)34-24-35(26-11-5-2-6-12-26)42-40(41-34)29-16-19-32-31-18-15-28(22-38(31)44-39(32)23-29)27-17-20-37-33(21-27)30-13-7-8-14-36(30)43-37/h1-24,34H,(H,41,42).
What are the key properties of 2-(7-dibenzofuran-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,6-dihydropyrimidine?
2-(7-dibenzofuran-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,6-dihydropyrimidine has a molecular weight of 566.66 g/mol, XLogP of 10.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-dibenzofuran-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,6-dihydropyrimidine is sourced from PubChem (CID 166961446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).