4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2,6-diphenyl-[1]benzofuro[2,3-d]pyrimidine

C46H26N2O3 — CID 167047552

IUPAC4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2,6-diphenyl-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2ccc3oc4nc(-c5ccccc5)nc(-c5cccc6oc7ccc(-c8ccc9oc%10ccccc%10c9c8)cc7c56)c4c3c2)cc1
InChIInChI=1S/C46H26N2O3/c1-3-10-27(11-4-1)29-18-23-40-36(25-29)43-44(47-45(48-46(43)51-40)28-12-5-2-6-13-28)33-15-9-17-41-42(33)35-26-31(20-22-39(35)50-41)30-19-21-38-34(24-30)32-14-7-8-16-37(32)49-38/h1-26H
InChIKeyNHDASBITVQBHSC-UHFFFAOYSA-N
MW654.73 g/mol
LogP12.84
Rot. Bonds4

About 4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2,6-diphenyl-[1]benzofuro[2,3-d]pyrimidine

4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2,6-diphenyl-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 167047552) has the molecular formula C46H26N2O3 and a molecular weight of 654.73 g/mol. Its IUPAC name is 4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2,6-diphenyl-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2,6-diphenyl-[1]benzofuro[2,3-d]pyrimidine
PubChem CID167047552
Molecular FormulaC46H26N2O3
Molecular Weight654.73 g/mol
Exact Mass654.19
IUPAC Name4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2,6-diphenyl-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2ccc3oc4nc(-c5ccccc5)nc(-c5cccc6oc7ccc(-c8ccc9oc%10ccccc%10c9c8)cc7c56)c4c3c2)cc1
InChIInChI=1S/C46H26N2O3/c1-3-10-27(11-4-1)29-18-23-40-36(25-29)43-44(47-45(48-46(43)51-40)28-12-5-2-6-13-28)33-15-9-17-41-42(33)35-26-31(20-22-39(35)50-41)30-19-21-38-34(24-30)32-14-7-8-16-37(32)49-38/h1-26H
InChIKeyNHDASBITVQBHSC-UHFFFAOYSA-N
XLogP12.84
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.73
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2,6-diphenyl-[1]benzofuro[2,3-d]pyrimidine 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

2,6-diphenyl-4-[8-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]dibenzofuran-1-yl]-[1]benzofuro[2,3-d]pyrimidine
CID 170529246
2-[4-[4-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 170010934
2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489923
2-(3-dibenzofuran-1-ylphenyl)-4-(3-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304365
2-(4-phenylphenyl)-4-[2-[4-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine;2-(3-phenylphenyl)-4-[2-[2-[2-[2-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 158409214
2-dibenzofuran-2-yl-4-(8-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837471
2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134199357
2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946220
2,4-diphenyl-6-[4-(9-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine
CID 135234038
2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247
2-(3-phenylphenyl)-4-[4-[4-[4-(3-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 122489587
2-dibenzofuran-2-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304573

Frequently Asked Questions

What is the IUPAC name of 4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2,6-diphenyl-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2,6-diphenyl-[1]benzofuro[2,3-d]pyrimidine (CID 167047552) is 4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2,6-diphenyl-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2,6-diphenyl-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2,6-diphenyl-[1]benzofuro[2,3-d]pyrimidine is c1ccc(-c2ccc3oc4nc(-c5ccccc5)nc(-c5cccc6oc7ccc(-c8ccc9oc%10ccccc%10c9c8)cc7c56)c4c3c2)cc1.
What is the InChIKey of 4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2,6-diphenyl-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is NHDASBITVQBHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N2O3/c1-3-10-27(11-4-1)29-18-23-40-36(25-29)43-44(47-45(48-46(43)51-40)28-12-5-2-6-13-28)33-15-9-17-41-42(33)35-26-31(20-22-39(35)50-41)30-19-21-38-34(24-30)32-14-7-8-16-37(32)49-38/h1-26H.
What are the key properties of 4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2,6-diphenyl-[1]benzofuro[2,3-d]pyrimidine?
4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2,6-diphenyl-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 654.73 g/mol, XLogP of 12.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2,6-diphenyl-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 167047552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).