4-carbazol-9-yl-2-(8-dibenzofuran-2-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[3,2-d]pyrimidine

C52H29N3O3 — CID 170529283

IUPAC4-carbazol-9-yl-2-(8-dibenzofuran-2-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc3c(c2)oc2c(-n4c5ccccc5c5ccccc54)nc(-c4cccc5oc6ccc(-c7ccc8oc9ccccc9c8c7)cc6c45)nc23)cc1
InChIInChI=1S/C52H29N3O3/c1-2-11-30(12-3-1)33-21-24-37-47(29-33)58-50-49(37)53-51(54-52(50)55-41-17-7-4-13-34(41)35-14-5-8-18-42(35)55)38-16-10-20-46-48(38)40-28-32(23-26-45(40)57-46)31-22-25-44-39(27-31)36-15-6-9-19-43(36)56-44/h1-29H
InChIKeyBDDGIIGBNKBIDT-UHFFFAOYSA-N
MW743.82 g/mol
LogP14.27
Rot. Bonds4

About 4-carbazol-9-yl-2-(8-dibenzofuran-2-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[3,2-d]pyrimidine

4-carbazol-9-yl-2-(8-dibenzofuran-2-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 170529283) has the molecular formula C52H29N3O3 and a molecular weight of 743.82 g/mol. Its IUPAC name is 4-carbazol-9-yl-2-(8-dibenzofuran-2-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-carbazol-9-yl-2-(8-dibenzofuran-2-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID170529283
Molecular FormulaC52H29N3O3
Molecular Weight743.82 g/mol
Exact Mass743.22
IUPAC Name4-carbazol-9-yl-2-(8-dibenzofuran-2-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc3c(c2)oc2c(-n4c5ccccc5c5ccccc54)nc(-c4cccc5oc6ccc(-c7ccc8oc9ccccc9c8c7)cc6c45)nc23)cc1
InChIInChI=1S/C52H29N3O3/c1-2-11-30(12-3-1)33-21-24-37-47(29-33)58-50-49(37)53-51(54-52(50)55-41-17-7-4-13-34(41)35-14-5-8-18-42(35)55)38-16-10-20-46-48(38)40-28-32(23-26-45(40)57-46)31-22-25-44-39(27-31)36-15-6-9-19-43(36)56-44/h1-29H
InChIKeyBDDGIIGBNKBIDT-UHFFFAOYSA-N
XLogP14.27
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.82
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-carbazol-9-yl-2-[2-(3-phenylcarbazol-9-yl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 177271432
9-[4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358091
9-[4-(7-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzofuran-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzofuran-3-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;9-[4-(7-dibenzofuran-4-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 159381403
9-(3-phenylphenyl)-3-[9-[4-phenyl-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 168767909
3-[9-[4-dibenzofuran-3-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767917
3-[3-[3-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 168768477
9-[4-phenyl-6-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169060933
8-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 170947083
3-[9-[9-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767734
3-[9-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168768803
9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole
CID 155050536
9-[9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 166953309

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-2-(8-dibenzofuran-2-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-carbazol-9-yl-2-(8-dibenzofuran-2-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 170529283) is 4-carbazol-9-yl-2-(8-dibenzofuran-2-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-carbazol-9-yl-2-(8-dibenzofuran-2-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-carbazol-9-yl-2-(8-dibenzofuran-2-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2ccc3c(c2)oc2c(-n4c5ccccc5c5ccccc54)nc(-c4cccc5oc6ccc(-c7ccc8oc9ccccc9c8c7)cc6c45)nc23)cc1.
What is the InChIKey of 4-carbazol-9-yl-2-(8-dibenzofuran-2-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is BDDGIIGBNKBIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H29N3O3/c1-2-11-30(12-3-1)33-21-24-37-47(29-33)58-50-49(37)53-51(54-52(50)55-41-17-7-4-13-34(41)35-14-5-8-18-42(35)55)38-16-10-20-46-48(38)40-28-32(23-26-45(40)57-46)31-22-25-44-39(27-31)36-15-6-9-19-43(36)56-44/h1-29H.
What are the key properties of 4-carbazol-9-yl-2-(8-dibenzofuran-2-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[3,2-d]pyrimidine?
4-carbazol-9-yl-2-(8-dibenzofuran-2-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 743.82 g/mol, XLogP of 14.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-2-(8-dibenzofuran-2-yldibenzofuran-1-yl)-7-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 170529283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).