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

C46H27N3O2 — CID 148990639

IUPAC8-(8-carbazol-9-yldibenzofuran-1-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)c3oc4ccc(-c5cccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c56)cc4c3n2)cc1
InChIInChI=1S/C46H27N3O2/c1-3-12-28(13-4-1)43-45-44(48-46(47-43)29-14-5-2-6-15-29)36-26-30(22-24-40(36)51-45)32-18-11-21-41-42(32)35-27-31(23-25-39(35)50-41)49-37-19-9-7-16-33(37)34-17-8-10-20-38(34)49/h1-27H
InChIKeyPXQFLIYHDXLFHY-UHFFFAOYSA-N
MW653.74 g/mol
LogP12.37
Rot. Bonds4

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

8-(8-carbazol-9-yldibenzofuran-1-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 148990639) has the molecular formula C46H27N3O2 and a molecular weight of 653.74 g/mol. Its IUPAC name is 8-(8-carbazol-9-yldibenzofuran-1-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name8-(8-carbazol-9-yldibenzofuran-1-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID148990639
Molecular FormulaC46H27N3O2
Molecular Weight653.74 g/mol
Exact Mass653.21
IUPAC Name8-(8-carbazol-9-yldibenzofuran-1-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)c3oc4ccc(-c5cccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c56)cc4c3n2)cc1
InChIInChI=1S/C46H27N3O2/c1-3-12-28(13-4-1)43-45-44(48-46(47-43)29-14-5-2-6-15-29)36-26-30(22-24-40(36)51-45)32-18-11-21-41-42(32)35-27-31(23-25-39(35)50-41)49-37-19-9-7-16-33(37)34-17-8-10-20-38(34)49/h1-27H
InChIKeyPXQFLIYHDXLFHY-UHFFFAOYSA-N
XLogP12.37
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.74
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-8-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 168826463
14-(2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidin-8-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134393745
9-[8-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]dibenzofuran-3-yl]carbazole
CID 166962097
8-(4-carbazol-9-ylphenyl)-2-phenyl-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 146606368
8-carbazol-9-yl-2,4-di(triphenylen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 134394241
8-[3-(9-cyclohexa-1,5-dien-1-ylcarbazol-4-yl)carbazol-9-yl]-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 167232919
2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-8-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 134399083
3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154
4-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 118232398
2,8-di(carbazol-9-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 134394265
2-phenyl-8-[3-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 142551150
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 8-(8-carbazol-9-yldibenzofuran-1-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 8-(8-carbazol-9-yldibenzofuran-1-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine (CID 148990639) is 8-(8-carbazol-9-yldibenzofuran-1-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 8-(8-carbazol-9-yldibenzofuran-1-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 8-(8-carbazol-9-yldibenzofuran-1-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2nc(-c3ccccc3)c3oc4ccc(-c5cccc6oc7ccc(-n8c9ccccc9c9ccccc98)cc7c56)cc4c3n2)cc1.
What is the InChIKey of 8-(8-carbazol-9-yldibenzofuran-1-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is PXQFLIYHDXLFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3O2/c1-3-12-28(13-4-1)43-45-44(48-46(47-43)29-14-5-2-6-15-29)36-26-30(22-24-40(36)51-45)32-18-11-21-41-42(32)35-27-31(23-25-39(35)50-41)49-37-19-9-7-16-33(37)34-17-8-10-20-38(34)49/h1-27H.
What are the key properties of 8-(8-carbazol-9-yldibenzofuran-1-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine?
8-(8-carbazol-9-yldibenzofuran-1-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 653.74 g/mol, XLogP of 12.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(8-carbazol-9-yldibenzofuran-1-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 148990639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).