4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-8-[3-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine

C64H39N3O2 — CID 168826475

IUPAC4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-8-[3-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cccc(-c3cccc(-c4ccc5oc6c(-c7cccc8oc9ccc(-c%10cccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)c%10)cc9c78)ncnc6c5c4)c3)c2)cc1
InChIInChI=1S/C64H39N3O2/c1-3-13-40(14-4-1)41-15-9-16-42(33-41)43-17-10-20-46(34-43)49-29-32-59-55(38-49)63-64(69-59)62(65-39-66-63)52-24-12-26-60-61(52)54-37-48(28-31-58(54)68-60)45-19-11-18-44(35-45)47-27-30-57-53(36-47)51-23-7-8-25-56(51)67(57)50-21-5-2-6-22-50/h1-39H
InChIKeyXHKUDBYILNYYFQ-UHFFFAOYSA-N
MW882.04 g/mol
LogP17.37
Rot. Bonds7

About 4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-8-[3-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine

4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-8-[3-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 168826475) has the molecular formula C64H39N3O2 and a molecular weight of 882.04 g/mol. Its IUPAC name is 4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-8-[3-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-8-[3-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID168826475
Molecular FormulaC64H39N3O2
Molecular Weight882.04 g/mol
Exact Mass881.30
IUPAC Name4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-8-[3-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cccc(-c3cccc(-c4ccc5oc6c(-c7cccc8oc9ccc(-c%10cccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)c%10)cc9c78)ncnc6c5c4)c3)c2)cc1
InChIInChI=1S/C64H39N3O2/c1-3-13-40(14-4-1)41-15-9-16-42(33-41)43-17-10-20-46(34-43)49-29-32-59-55(38-49)63-64(69-59)62(65-39-66-63)52-24-12-26-60-61(52)54-37-48(28-31-58(54)68-60)45-19-11-18-44(35-45)47-27-30-57-53(36-47)51-23-7-8-25-56(51)67(57)50-21-5-2-6-22-50/h1-39H
InChIKeyXHKUDBYILNYYFQ-UHFFFAOYSA-N
XLogP17.37
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.04
LogP ≤ 517.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-7-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 168826473
4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 168826414
8-chloro-4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 168826499
2-phenyl-4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-8-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 168826463
8-dibenzofuran-4-yl-4-[4-[3-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 135163814
4-[3-(3-carbazol-9-ylphenyl)phenyl]-8-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 156578602
4-[3-(3-carbazol-9-ylphenyl)phenyl]-8-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 162485295
4-[3-(3-dibenzofuran-1-ylphenyl)phenyl]-8-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 162485301
8-carbazol-9-yl-4-[3-[5-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 135163806
3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264
4-methyl-[1]benzofuro[3,2-d]pyrimidine;4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 145257771
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416

Frequently Asked Questions

What is the IUPAC name of 4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-8-[3-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-8-[3-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine (CID 168826475) is 4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-8-[3-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-8-[3-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-8-[3-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2cccc(-c3cccc(-c4ccc5oc6c(-c7cccc8oc9ccc(-c%10cccc(-c%11ccc%12c(c%11)c%11ccccc%11n%12-c%11ccccc%11)c%10)cc9c78)ncnc6c5c4)c3)c2)cc1.
What is the InChIKey of 4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-8-[3-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is XHKUDBYILNYYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39N3O2/c1-3-13-40(14-4-1)41-15-9-16-42(33-41)43-17-10-20-46(34-43)49-29-32-59-55(38-49)63-64(69-59)62(65-39-66-63)52-24-12-26-60-61(52)54-37-48(28-31-58(54)68-60)45-19-11-18-44(35-45)47-27-30-57-53(36-47)51-23-7-8-25-56(51)67(57)50-21-5-2-6-22-50/h1-39H.
What are the key properties of 4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-8-[3-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-8-[3-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 882.04 g/mol, XLogP of 17.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-8-[3-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 168826475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).