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

C56H44N6O2 — CID 135250292

IUPAC2-[6-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
SMILESCC1(C)CN=C(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(-c7ccc(C8=NCC(C)(C)O8)cn7)ccc5n6-c5ccccc5)ccc3n4-c3ccccc3)nc2)O1
InChIInChI=1S/C56H44N6O2/c1-55(2)33-59-53(63-55)39-15-21-47(57-31-39)37-19-25-51-45(29-37)43-27-35(17-23-49(43)61(51)41-11-7-5-8-12-41)36-18-24-50-44(28-36)46-30-38(20-26-52(46)62(50)42-13-9-6-10-14-42)48-22-16-40(32-58-48)54-60-34-56(3,4)64-54/h5-32H,33-34H2,1-4H3
InChIKeyCVOHCQCRDJACGG-UHFFFAOYSA-N
MW833.01 g/mol
LogP12.78
Rot. Bonds7

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

2-[6-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole (PubChem CID 135250292) has the molecular formula C56H44N6O2 and a molecular weight of 833.01 g/mol. Its IUPAC name is 2-[6-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole.

Molecular Properties

Compound Name2-[6-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
PubChem CID135250292
Molecular FormulaC56H44N6O2
Molecular Weight833.01 g/mol
Exact Mass832.35
IUPAC Name2-[6-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
SMILESCC1(C)CN=C(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(-c7ccc(C8=NCC(C)(C)O8)cn7)ccc5n6-c5ccccc5)ccc3n4-c3ccccc3)nc2)O1
InChIInChI=1S/C56H44N6O2/c1-55(2)33-59-53(63-55)39-15-21-47(57-31-39)37-19-25-51-45(29-37)43-27-35(17-23-49(43)61(51)41-11-7-5-8-12-41)36-18-24-50-44(28-36)46-30-38(20-26-52(46)62(50)42-13-9-6-10-14-42)48-22-16-40(32-58-48)54-60-34-56(3,4)64-54/h5-32H,33-34H2,1-4H3
InChIKeyCVOHCQCRDJACGG-UHFFFAOYSA-N
XLogP12.78
TPSA78.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.01
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
The IUPAC name of 2-[6-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole (CID 135250292) is 2-[6-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole.
What is the SMILES notation for 2-[6-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
The canonical SMILES for 2-[6-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole is CC1(C)CN=C(c2ccc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(-c7ccc(C8=NCC(C)(C)O8)cn7)ccc5n6-c5ccccc5)ccc3n4-c3ccccc3)nc2)O1.
What is the InChIKey of 2-[6-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
The InChIKey is CVOHCQCRDJACGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H44N6O2/c1-55(2)33-59-53(63-55)39-15-21-47(57-31-39)37-19-25-51-45(29-37)43-27-35(17-23-49(43)61(51)41-11-7-5-8-12-41)36-18-24-50-44(28-36)46-30-38(20-26-52(46)62(50)42-13-9-6-10-14-42)48-22-16-40(32-58-48)54-60-34-56(3,4)64-54/h5-32H,33-34H2,1-4H3.
What are the key properties of 2-[6-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole?
2-[6-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole has a molecular weight of 833.01 g/mol, XLogP of 12.78, 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-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole is sourced from PubChem (CID 135250292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).