4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
C168H102N12O3 — CID 157231621
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc(-c6ncnc7c6oc6ccccc67)c5)c5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccc(-c6cccc(-c7ncnc8c7oc7ccccc78)c6)cc5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c(-c6cccc(-c7ncnc8c7oc7ccccc78)c6)cccc45)ccc32)cc1
InChIInChI=1S/3C56H34N4O/c1-2-15-39(16-3-1)59-48-23-7-4-17-43(48)46-32-35(27-29-51(46)59)36-28-30-52-47(33-36)44-18-5-8-24-49(44)60(52)50-25-12-21-41-40(20-11-22-42(41)50)37-13-10-14-38(31-37)54-56-55(58-34-57-54)45-19-6-9-26-53(45)61-56;1-2-13-42(14-3-1)59-49-18-7-4-15-44(49)47-32-38(24-27-51(47)59)39-25-28-52-48(33-39)45-16-5-8-19-50(45)60(52)43-26-23-35-21-22-37(30-41(35)31-43)36-11-10-12-40(29-36)54-56-55(58-34-57-54)46-17-6-9-20-53(46)61-56;1-2-15-39(16-3-1)59-48-22-9-6-19-43(48)46-32-35(25-28-51(46)59)36-26-29-52-47(33-36)44-20-7-10-23-49(44)60(52)50-30-27-40(41-17-4-5-18-42(41)50)37-13-12-14-38(31-37)54-56-55(58-34-57-54)45-21-8-11-24-53(45)61-56/h3*1-34H
InChIKeyAUEBQILCPRPCRU-UHFFFAOYSA-N
MW2336.74 g/mol
LogP44.17
Rot. Bonds15
About 4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 157231621) has the molecular formula C168H102N12O3 and a molecular weight of 2336.74 g/mol. Its IUPAC name is 4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine.
Molecular Properties
| Compound Name | 4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine |
|---|---|
| PubChem CID | 157231621 |
| Molecular Formula | C168H102N12O3 |
| Molecular Weight | 2336.74 g/mol |
| Exact Mass | 2334.82 |
| IUPAC Name | 4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine |
| SMILES | c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc(-c6ncnc7c6oc6ccccc67)c5)c5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccc(-c6cccc(-c7ncnc8c7oc7ccccc78)c6)cc5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c(-c6cccc(-c7ncnc8c7oc7ccccc78)c6)cccc45)ccc32)cc1 |
| InChI | InChI=1S/3C56H34N4O/c1-2-15-39(16-3-1)59-48-23-7-4-17-43(48)46-32-35(27-29-51(46)59)36-28-30-52-47(33-36)44-18-5-8-24-49(44)60(52)50-25-12-21-41-40(20-11-22-42(41)50)37-13-10-14-38(31-37)54-56-55(58-34-57-54)45-19-6-9-26-53(45)61-56;1-2-13-42(14-3-1)59-49-18-7-4-15-44(49)47-32-38(24-27-51(47)59)39-25-28-52-48(33-39)45-16-5-8-19-50(45)60(52)43-26-23-35-21-22-37(30-41(35)31-43)36-11-10-12-40(29-36)54-56-55(58-34-57-54)46-17-6-9-20-53(46)61-56;1-2-15-39(16-3-1)59-48-22-9-6-19-43(48)46-32-35(25-28-51(46)59)36-26-29-52-47(33-36)44-20-7-10-23-49(44)60(52)50-30-27-40(41-17-4-5-18-42(41)50)37-13-12-14-38(31-37)54-56-55(58-34-57-54)45-21-8-11-24-53(45)61-56/h3*1-34H |
| InChIKey | AUEBQILCPRPCRU-UHFFFAOYSA-N |
| XLogP | 44.17 |
| TPSA | 146.34 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 183 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2336.74 |
| LogP ≤ 5 | 44.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |
Frequently Asked Questions
What is the IUPAC name of 4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine (CID 157231621) is 4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc(-c6ncnc7c6oc6ccccc67)c5)c5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccc(-c6cccc(-c7ncnc8c7oc7ccccc78)c6)cc5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc5c(-c6cccc(-c7ncnc8c7oc7ccccc78)c6)cccc45)ccc32)cc1.
What is the InChIKey of 4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is AUEBQILCPRPCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C56H34N4O/c1-2-15-39(16-3-1)59-48-23-7-4-17-43(48)46-32-35(27-29-51(46)59)36-28-30-52-47(33-36)44-18-5-8-24-49(44)60(52)50-25-12-21-41-40(20-11-22-42(41)50)37-13-10-14-38(31-37)54-56-55(58-34-57-54)45-19-6-9-26-53(45)61-56;1-2-13-42(14-3-1)59-49-18-7-4-15-44(49)47-32-38(24-27-51(47)59)39-25-28-52-48(33-39)45-16-5-8-19-50(45)60(52)43-26-23-35-21-22-37(30-41(35)31-43)36-11-10-12-40(29-36)54-56-55(58-34-57-54)46-17-6-9-20-53(46)61-56;1-2-15-39(16-3-1)59-48-22-9-6-19-43(48)46-32-35(25-28-51(46)59)36-26-29-52-47(33-36)44-20-7-10-23-49(44)60(52)50-30-27-40(41-17-4-5-18-42(41)50)37-13-12-14-38(31-37)54-56-55(58-34-57-54)45-21-8-11-24-53(45)61-56/h3*1-34H.
What are the key properties of 4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine?
4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 2336.74 g/mol, XLogP of 44.17, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine;4-[3-[7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 157231621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157231621 — identifiers, structure, computed properties (public domain)
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