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

C58H35N3O2 — CID 168826414

IUPAC4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3cccc(-c4cccc5oc6c(-c7cccc8oc9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)cc9c78)ncnc6c45)c3)cc2)cc1
InChIInChI=1S/C58H35N3O2/c1-3-12-36(13-4-1)37-24-26-38(27-25-37)39-14-9-15-42(32-39)44-19-10-23-53-55(44)57-58(63-53)56(59-35-60-57)46-20-11-22-52-54(46)48-34-41(29-31-51(48)62-52)40-28-30-50-47(33-40)45-18-7-8-21-49(45)61(50)43-16-5-2-6-17-43/h1-35H
InChIKeyJVYXGOQTHBQKCF-UHFFFAOYSA-N
MW805.94 g/mol
LogP15.71
Rot. Bonds6

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

4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 168826414) has the molecular formula C58H35N3O2 and a molecular weight of 805.94 g/mol. Its IUPAC name is 4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID168826414
Molecular FormulaC58H35N3O2
Molecular Weight805.94 g/mol
Exact Mass805.27
IUPAC Name4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2ccc(-c3cccc(-c4cccc5oc6c(-c7cccc8oc9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)cc9c78)ncnc6c45)c3)cc2)cc1
InChIInChI=1S/C58H35N3O2/c1-3-12-36(13-4-1)37-24-26-38(27-25-37)39-14-9-15-42(32-39)44-19-10-23-53-55(44)57-58(63-53)56(59-35-60-57)46-20-11-22-52-54(46)48-34-41(29-31-51(48)62-52)40-28-30-50-47(33-40)45-18-7-8-21-49(45)61(50)43-16-5-2-6-17-43/h1-35H
InChIKeyJVYXGOQTHBQKCF-UHFFFAOYSA-N
XLogP15.71
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.94
LogP ≤ 515.71
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-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-7-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 168826473
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
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416
3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154
9-phenyl-3-[6-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole
CID 148610640
9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 167329299
3-[4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 154602264
4-[3-(3-carbazol-9-ylphenyl)phenyl]-8-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 156578602
3-dibenzofuran-1-yl-6-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 129292083

Frequently Asked Questions

What is the IUPAC name of 4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine (CID 168826414) is 4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2ccc(-c3cccc(-c4cccc5oc6c(-c7cccc8oc9ccc(-c%10ccc%11c(c%10)c%10ccccc%10n%11-c%10ccccc%10)cc9c78)ncnc6c45)c3)cc2)cc1.
What is the InChIKey of 4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is JVYXGOQTHBQKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N3O2/c1-3-12-36(13-4-1)37-24-26-38(27-25-37)39-14-9-15-42(32-39)44-19-10-23-53-55(44)57-58(63-53)56(59-35-60-57)46-20-11-22-52-54(46)48-34-41(29-31-51(48)62-52)40-28-30-50-47(33-40)45-18-7-8-21-49(45)61(50)43-16-5-2-6-17-43/h1-35H.
What are the key properties of 4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine?
4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 805.94 g/mol, XLogP of 15.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 168826414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).