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

C64H39N3O2 — CID 168826473

IUPAC4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-7-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccc5c(c4)oc4c(-c6cccc7oc8ccc(-c9cccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)c9)cc8c67)ncnc45)c3)cc2)cc1
InChIInChI=1S/C64H39N3O2/c1-3-12-40(13-4-1)41-24-26-42(27-25-41)43-14-9-17-46(34-43)49-28-31-52-60(38-49)69-64-62(52)65-39-66-63(64)53-21-11-23-59-61(53)55-37-48(30-33-58(55)68-59)45-16-10-15-44(35-45)47-29-32-57-54(36-47)51-20-7-8-22-56(51)67(57)50-18-5-2-6-19-50/h1-39H
InChIKeyVFLREZWIZJBVLP-UHFFFAOYSA-N
MW882.04 g/mol
LogP17.37
Rot. Bonds7

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

4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-7-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 168826473) 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]-7-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-7-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID168826473
Molecular FormulaC64H39N3O2
Molecular Weight882.04 g/mol
Exact Mass881.30
IUPAC Name4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-7-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3cccc(-c4ccc5c(c4)oc4c(-c6cccc7oc8ccc(-c9cccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)c9)cc8c67)ncnc45)c3)cc2)cc1
InChIInChI=1S/C64H39N3O2/c1-3-12-40(13-4-1)41-24-26-42(27-25-41)43-14-9-17-46(34-43)49-28-31-52-60(38-49)69-64-62(52)65-39-66-63(64)53-21-11-23-59-61(53)55-37-48(30-33-58(55)68-59)45-16-10-15-44(35-45)47-29-32-57-54(36-47)51-20-7-8-22-56(51)67(57)50-18-5-2-6-19-50/h1-39H
InChIKeyVFLREZWIZJBVLP-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]-8-[3-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 168826475
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
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
2-phenyl-4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-8-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 168826463
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
4-[3-(3-carbazol-9-ylphenyl)phenyl]-8-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 162485295
4-[3-(3-carbazol-9-ylphenyl)phenyl]-8-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 156578602
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
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
4-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 126550768

Frequently Asked Questions

What is the IUPAC name of 4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-7-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-7-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine (CID 168826473) is 4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-7-[3-(4-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]-7-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-7-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2ccc(-c3cccc(-c4ccc5c(c4)oc4c(-c6cccc7oc8ccc(-c9cccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)c9)cc8c67)ncnc45)c3)cc2)cc1.
What is the InChIKey of 4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-7-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is VFLREZWIZJBVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39N3O2/c1-3-12-40(13-4-1)41-24-26-42(27-25-41)43-14-9-17-46(34-43)49-28-31-52-60(38-49)69-64-62(52)65-39-66-63(64)53-21-11-23-59-61(53)55-37-48(30-33-58(55)68-59)45-16-10-15-44(35-45)47-29-32-57-54(36-47)51-20-7-8-22-56(51)67(57)50-18-5-2-6-19-50/h1-39H.
What are the key properties of 4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-7-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-7-[3-(4-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]-7-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 168826473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).