4-[9-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazol-2-yl]-[1]benzofuro[3,2-c]pyridine

C59H36N4O — CID 90321486

IUPAC4-[9-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazol-2-yl]-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cccc(-c6cc7c8ccccc8n(-c8ccccc8)c7cc6-c6cncc7c6oc6ccccc67)c54)ccc32)cc1
InChIInChI=1S/C59H36N4O/c1-3-16-37(17-4-1)61-52-26-11-8-21-41(52)48-32-39(30-31-55(48)61)63-54-28-13-7-20-40(54)44-24-15-25-45(58(44)63)46-33-49-42-22-9-12-27-53(42)62(38-18-5-2-6-19-38)56(49)34-47(46)51-36-60-35-50-43-23-10-14-29-57(43)64-59(50)51/h1-36H
InChIKeyOQXXMMWGMYZWRV-UHFFFAOYSA-N
MW816.96 g/mol
LogP15.61
Rot. Bonds5

About 4-[9-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazol-2-yl]-[1]benzofuro[3,2-c]pyridine

4-[9-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazol-2-yl]-[1]benzofuro[3,2-c]pyridine (PubChem CID 90321486) has the molecular formula C59H36N4O and a molecular weight of 816.96 g/mol. Its IUPAC name is 4-[9-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazol-2-yl]-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name4-[9-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazol-2-yl]-[1]benzofuro[3,2-c]pyridine
PubChem CID90321486
Molecular FormulaC59H36N4O
Molecular Weight816.96 g/mol
Exact Mass816.29
IUPAC Name4-[9-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazol-2-yl]-[1]benzofuro[3,2-c]pyridine
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cccc(-c6cc7c8ccccc8n(-c8ccccc8)c7cc6-c6cncc7c6oc6ccccc67)c54)ccc32)cc1
InChIInChI=1S/C59H36N4O/c1-3-16-37(17-4-1)61-52-26-11-8-21-41(52)48-32-39(30-31-55(48)61)63-54-28-13-7-20-40(54)44-24-15-25-45(58(44)63)46-33-49-42-22-9-12-27-53(42)62(38-18-5-2-6-19-38)56(49)34-47(46)51-36-60-35-50-43-23-10-14-29-57(43)64-59(50)51/h1-36H
InChIKeyOQXXMMWGMYZWRV-UHFFFAOYSA-N
XLogP15.61
TPSA40.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.96
LogP ≤ 515.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[9-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazol-2-yl]-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 4-[9-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazol-2-yl]-[1]benzofuro[3,2-c]pyridine (CID 90321486) is 4-[9-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazol-2-yl]-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 4-[9-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazol-2-yl]-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 4-[9-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazol-2-yl]-[1]benzofuro[3,2-c]pyridine is c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cccc(-c6cc7c8ccccc8n(-c8ccccc8)c7cc6-c6cncc7c6oc6ccccc67)c54)ccc32)cc1.
What is the InChIKey of 4-[9-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazol-2-yl]-[1]benzofuro[3,2-c]pyridine?
The InChIKey is OQXXMMWGMYZWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4O/c1-3-16-37(17-4-1)61-52-26-11-8-21-41(52)48-32-39(30-31-55(48)61)63-54-28-13-7-20-40(54)44-24-15-25-45(58(44)63)46-33-49-42-22-9-12-27-53(42)62(38-18-5-2-6-19-38)56(49)34-47(46)51-36-60-35-50-43-23-10-14-29-57(43)64-59(50)51/h1-36H.
What are the key properties of 4-[9-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazol-2-yl]-[1]benzofuro[3,2-c]pyridine?
4-[9-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazol-2-yl]-[1]benzofuro[3,2-c]pyridine has a molecular weight of 816.96 g/mol, XLogP of 15.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazol-2-yl]-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 90321486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).