4,6-diphenyl-2-[8-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-4-yl]-1,6-dihydropyrimidine

C46H34N2O — CID 170366115

IUPAC4,6-diphenyl-2-[8-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-4-yl]-1,6-dihydropyrimidine
SMILESC1=C(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)CCc2oc3c(C4=NC(c5ccccc5)=CC(c5ccccc5)N4)cccc3c21
InChIInChI=1S/C46H34N2O/c1-4-11-31(12-5-1)32-19-21-33(22-20-32)34-23-25-35(26-24-34)38-27-28-44-41(29-38)39-17-10-18-40(45(39)49-44)46-47-42(36-13-6-2-7-14-36)30-43(48-46)37-15-8-3-9-16-37/h1-26,29-30,42H,27-28H2,(H,47,48)
InChIKeyWYDAWOCWMHZKNV-UHFFFAOYSA-N
MW630.79 g/mol
LogP11.39
Rot. Bonds6

About 4,6-diphenyl-2-[8-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-4-yl]-1,6-dihydropyrimidine

4,6-diphenyl-2-[8-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-4-yl]-1,6-dihydropyrimidine (PubChem CID 170366115) has the molecular formula C46H34N2O and a molecular weight of 630.79 g/mol. Its IUPAC name is 4,6-diphenyl-2-[8-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-4-yl]-1,6-dihydropyrimidine.

Molecular Properties

Compound Name4,6-diphenyl-2-[8-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-4-yl]-1,6-dihydropyrimidine
PubChem CID170366115
Molecular FormulaC46H34N2O
Molecular Weight630.79 g/mol
Exact Mass630.27
IUPAC Name4,6-diphenyl-2-[8-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-4-yl]-1,6-dihydropyrimidine
SMILESC1=C(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)CCc2oc3c(C4=NC(c5ccccc5)=CC(c5ccccc5)N4)cccc3c21
InChIInChI=1S/C46H34N2O/c1-4-11-31(12-5-1)32-19-21-33(22-20-32)34-23-25-35(26-24-34)38-27-28-44-41(29-38)39-17-10-18-40(45(39)49-44)46-47-42(36-13-6-2-7-14-36)30-43(48-46)37-15-8-3-9-16-37/h1-26,29-30,42H,27-28H2,(H,47,48)
InChIKeyWYDAWOCWMHZKNV-UHFFFAOYSA-N
XLogP11.39
TPSA37.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.79
LogP ≤ 511.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,6-diphenyl-2-[8-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-4-yl]-1,6-dihydropyrimidine with MolForge

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Related Compounds

2-(7-dibenzofuran-2-yldibenzofuran-3-yl)-4,6-diphenyl-1,6-dihydropyrimidine
CID 166961446
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
7-[3-[3-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)phenyl]phenyl]-11,12-dihydrophenanthro[9,10-b]pyridine
CID 137307548
3-[4-[4-[5-[4-[2-(3-cyanophenyl)-6-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]phenyl]-6-phenyl-1,6-dihydropyrimidin-2-yl]benzonitrile
CID 137078762
3-(9,9-dimethylfluoren-1-yl)-6-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)-9-phenylcarbazole
CID 145327751
4-dibenzofuran-3-yl-6-phenyl-2-[2-[(9R)-spiro[1,2-dihydrofluorene-9,9'-xanthene]-3'-yl]phenyl]-1,6-dihydropyrimidine
CID 137181454
4-naphthalen-2-yl-2-[4-(10-phenylanthracen-9-yl)cyclohexa-1,3-dien-1-yl]-6-(4-pyridin-3-ylphenyl)-1,6-dihydropyrimidine
CID 170005279
2,2-dimethylpropanimidoyl 5-[3-[4-(2,6-diphenyl-1,6-dihydropyrimidin-4-yl)phenyl]phenyl]naphthalene-1-carboximidate
CID 155470656
12-[9-(4,6-diphenyl-1,6-dihydropyrimidin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[2,3-a]carbazole
CID 167200852
10-[4-[4-(2,6-diphenyl-1,6-dihydropyrimidin-4-yl)phenyl]phenyl]-10,14,21-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene
CID 163455367
2-benzo[a]anthracen-7-yl-4-[4-(9,9-dimethylfluoren-1-yl)phenyl]-6-phenyl-1,6-dihydropyrimidine
CID 167252228
4-naphtho[1,2-b][1]benzofuran-9-yl-2-phenyl-6-[4-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]naphthalen-1-yl]-1,6-dihydropyrimidine
CID 174304671

Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-2-[8-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-4-yl]-1,6-dihydropyrimidine?
The IUPAC name of 4,6-diphenyl-2-[8-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-4-yl]-1,6-dihydropyrimidine (CID 170366115) is 4,6-diphenyl-2-[8-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-4-yl]-1,6-dihydropyrimidine.
What is the SMILES notation for 4,6-diphenyl-2-[8-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-4-yl]-1,6-dihydropyrimidine?
The canonical SMILES for 4,6-diphenyl-2-[8-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-4-yl]-1,6-dihydropyrimidine is C1=C(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)CCc2oc3c(C4=NC(c5ccccc5)=CC(c5ccccc5)N4)cccc3c21.
What is the InChIKey of 4,6-diphenyl-2-[8-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-4-yl]-1,6-dihydropyrimidine?
The InChIKey is WYDAWOCWMHZKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N2O/c1-4-11-31(12-5-1)32-19-21-33(22-20-32)34-23-25-35(26-24-34)38-27-28-44-41(29-38)39-17-10-18-40(45(39)49-44)46-47-42(36-13-6-2-7-14-36)30-43(48-46)37-15-8-3-9-16-37/h1-26,29-30,42H,27-28H2,(H,47,48).
What are the key properties of 4,6-diphenyl-2-[8-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-4-yl]-1,6-dihydropyrimidine?
4,6-diphenyl-2-[8-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-4-yl]-1,6-dihydropyrimidine has a molecular weight of 630.79 g/mol, XLogP of 11.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-2-[8-[4-(4-phenylphenyl)phenyl]-6,7-dihydrodibenzofuran-4-yl]-1,6-dihydropyrimidine is sourced from PubChem (CID 170366115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).