2-[6-[6-[6-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole

C52H36N6O2 — CID 135250294

IUPAC2-[6-[6-[6-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc(-c6cccc(C7=NCCO7)n6)ccc4n5-c4ccccc4)cc3c3cc(-c4cccc(C5=NCCO5)n4)ccc32)cc1
InChIInChI=1S/C52H36N6O2/c1-3-9-37(10-4-1)57-47-21-17-33(29-39(47)41-31-35(19-23-49(41)57)43-13-7-15-45(55-43)51-53-25-27-59-51)34-18-22-48-40(30-34)42-32-36(20-24-50(42)58(48)38-11-5-2-6-12-38)44-14-8-16-46(56-44)52-54-26-28-60-52/h1-24,29-32H,25-28H2
InChIKeyLDJVIZBEAVUORB-UHFFFAOYSA-N
MW776.90 g/mol
LogP11.23
Rot. Bonds7

About 2-[6-[6-[6-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole

2-[6-[6-[6-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole (PubChem CID 135250294) has the molecular formula C52H36N6O2 and a molecular weight of 776.90 g/mol. Its IUPAC name is 2-[6-[6-[6-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[6-[6-[6-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
PubChem CID135250294
Molecular FormulaC52H36N6O2
Molecular Weight776.90 g/mol
Exact Mass776.29
IUPAC Name2-[6-[6-[6-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc(-c6cccc(C7=NCCO7)n6)ccc4n5-c4ccccc4)cc3c3cc(-c4cccc(C5=NCCO5)n4)ccc32)cc1
InChIInChI=1S/C52H36N6O2/c1-3-9-37(10-4-1)57-47-21-17-33(29-39(47)41-31-35(19-23-49(41)57)43-13-7-15-45(55-43)51-53-25-27-59-51)34-18-22-48-40(30-34)42-32-36(20-24-50(42)58(48)38-11-5-2-6-12-38)44-14-8-16-46(56-44)52-54-26-28-60-52/h1-24,29-32H,25-28H2
InChIKeyLDJVIZBEAVUORB-UHFFFAOYSA-N
XLogP11.23
TPSA78.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.90
LogP ≤ 511.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[6-[6-[6-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole with MolForge

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Related Compounds

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CID 169493177

Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-[6-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[6-[6-[6-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole (CID 135250294) is 2-[6-[6-[6-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[6-[6-[6-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[6-[6-[6-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole is c1ccc(-n2c3ccc(-c4ccc5c(c4)c4cc(-c6cccc(C7=NCCO7)n6)ccc4n5-c4ccccc4)cc3c3cc(-c4cccc(C5=NCCO5)n4)ccc32)cc1.
What is the InChIKey of 2-[6-[6-[6-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is LDJVIZBEAVUORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N6O2/c1-3-9-37(10-4-1)57-47-21-17-33(29-39(47)41-31-35(19-23-49(41)57)43-13-7-15-45(55-43)51-53-25-27-59-51)34-18-22-48-40(30-34)42-32-36(20-24-50(42)58(48)38-11-5-2-6-12-38)44-14-8-16-46(56-44)52-54-26-28-60-52/h1-24,29-32H,25-28H2.
What are the key properties of 2-[6-[6-[6-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole?
2-[6-[6-[6-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 776.90 g/mol, XLogP of 11.23, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-[6-[6-(4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 135250294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).