2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole

C46H36N2O — CID 135249726

IUPAC2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole
SMILESCC1(C)N=C(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)nc2)OC1(C)C
InChIInChI=1S/C46H36N2O/c1-45(2)46(3,4)49-44(48-45)36-22-24-41(47-28-36)33-21-23-39-40(27-33)43(35-20-18-30-12-6-8-14-32(30)26-35)38-16-10-9-15-37(38)42(39)34-19-17-29-11-5-7-13-31(29)25-34/h5-28H,1-4H3
InChIKeyWORZRQDRWBPOOM-UHFFFAOYSA-N
MW632.81 g/mol
LogP12.03
Rot. Bonds4

About 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole

2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole (PubChem CID 135249726) has the molecular formula C46H36N2O and a molecular weight of 632.81 g/mol. Its IUPAC name is 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole
PubChem CID135249726
Molecular FormulaC46H36N2O
Molecular Weight632.81 g/mol
Exact Mass632.28
IUPAC Name2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole
SMILESCC1(C)N=C(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)nc2)OC1(C)C
InChIInChI=1S/C46H36N2O/c1-45(2)46(3,4)49-44(48-45)36-22-24-41(47-28-36)33-21-23-39-40(27-33)43(35-20-18-30-12-6-8-14-32(30)26-35)38-16-10-9-15-37(38)42(39)34-19-17-29-11-5-7-13-31(29)25-34/h5-28H,1-4H3
InChIKeyWORZRQDRWBPOOM-UHFFFAOYSA-N
XLogP12.03
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.81
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole?
The IUPAC name of 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole (CID 135249726) is 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole.
What is the SMILES notation for 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole?
The canonical SMILES for 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole is CC1(C)N=C(c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)nc2)OC1(C)C.
What is the InChIKey of 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole?
The InChIKey is WORZRQDRWBPOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H36N2O/c1-45(2)46(3,4)49-44(48-45)36-22-24-41(47-28-36)33-21-23-39-40(27-33)43(35-20-18-30-12-6-8-14-32(30)26-35)38-16-10-9-15-37(38)42(39)34-19-17-29-11-5-7-13-31(29)25-34/h5-28H,1-4H3.
What are the key properties of 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole?
2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole has a molecular weight of 632.81 g/mol, XLogP of 12.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)-3-pyridinyl]-4,4,5,5-tetramethyl-1,3-oxazole is sourced from PubChem (CID 135249726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).