3-[4-(3,6-ditert-butylcarbazol-9-yl)benzoyl]-4-hydroxy-1-methylquinolin-2-one;diphenylphosphorylbenzene;europium

C55H51EuN2O4P — CID 177065995

IUPAC3-[4-(3,6-ditert-butylcarbazol-9-yl)benzoyl]-4-hydroxy-1-methylquinolin-2-one;diphenylphosphorylbenzene;europium
SMILESCn1c(=O)c(C(=O)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)c(O)c2ccccc21.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu]
InChIInChI=1S/C37H36N2O3.C18H15OP.Eu/c1-36(2,3)23-14-18-30-27(20-23)28-21-24(37(4,5)6)15-19-31(28)39(30)25-16-12-22(13-17-25)33(40)32-34(41)26-10-8-9-11-29(26)38(7)35(32)42;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h8-21,41H,1-7H3;1-15H;
InChIKeyFZTAOHIENHESLX-UHFFFAOYSA-N
MW986.96 g/mol
LogP11.49
Rot. Bonds6

About 3-[4-(3,6-ditert-butylcarbazol-9-yl)benzoyl]-4-hydroxy-1-methylquinolin-2-one;diphenylphosphorylbenzene;europium

3-[4-(3,6-ditert-butylcarbazol-9-yl)benzoyl]-4-hydroxy-1-methylquinolin-2-one;diphenylphosphorylbenzene;europium (PubChem CID 177065995) has the molecular formula C55H51EuN2O4P and a molecular weight of 986.96 g/mol. Its IUPAC name is 3-[4-(3,6-ditert-butylcarbazol-9-yl)benzoyl]-4-hydroxy-1-methylquinolin-2-one;diphenylphosphorylbenzene;europium.

Molecular Properties

Compound Name3-[4-(3,6-ditert-butylcarbazol-9-yl)benzoyl]-4-hydroxy-1-methylquinolin-2-one;diphenylphosphorylbenzene;europium
PubChem CID177065995
Molecular FormulaC55H51EuN2O4P
Molecular Weight986.96 g/mol
Exact Mass987.28
IUPAC Name3-[4-(3,6-ditert-butylcarbazol-9-yl)benzoyl]-4-hydroxy-1-methylquinolin-2-one;diphenylphosphorylbenzene;europium
SMILESCn1c(=O)c(C(=O)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)c(O)c2ccccc21.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu]
InChIInChI=1S/C37H36N2O3.C18H15OP.Eu/c1-36(2,3)23-14-18-30-27(20-23)28-21-24(37(4,5)6)15-19-31(28)39(30)25-16-12-22(13-17-25)33(40)32-34(41)26-10-8-9-11-29(26)38(7)35(32)42;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h8-21,41H,1-7H3;1-15H;
InChIKeyFZTAOHIENHESLX-UHFFFAOYSA-N
XLogP11.49
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500986.96
LogP ≤ 511.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-6-diphenylphosphoryl-9-(4-diphenylphosphorylphenyl)carbazole
CID 87159603
3-[(6-tert-butylnaphthalen-2-yl)-phenylphosphoryl]-9-phenylcarbazole
CID 87159769
2,7-ditert-butyl-10-(4-phenylphenyl)acridin-9-one
CID 176670415
3-(3-tert-butylcarbazol-9-yl)-6-carbazol-9-yl-9-phenylcarbazole
CID 59399314
3,6-ditert-butyl-9-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole
CID 59844594
2,7-bis(diphenylphosphoryl)-9-phenylcarbazole;3,6-bis(diphenylphosphoryl)-9-phenylcarbazole;9-(4-tert-butylphenyl)-3,6-ditritylcarbazole;9-(3-carbazol-9-ylphenyl)-3-diphenylphosphorylcarbazole
CID 164994259
bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]methanone
CID 102359107
2-tert-butyl-9-(4-phenylphenyl)carbazole
CID 122692449
4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54676449
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole
CID 158450509
2,7-bis(3,6-ditert-butylcarbazol-9-yl)-9-(9-phenylcarbazol-3-yl)carbazole
CID 121355698
europium;4-hydroxy-1-methyl-3-[4-(N-phenylanilino)naphthalene-1-carbonyl]quinolin-2-one;dihydrate
CID 177066179

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,6-ditert-butylcarbazol-9-yl)benzoyl]-4-hydroxy-1-methylquinolin-2-one;diphenylphosphorylbenzene;europium?
The IUPAC name of 3-[4-(3,6-ditert-butylcarbazol-9-yl)benzoyl]-4-hydroxy-1-methylquinolin-2-one;diphenylphosphorylbenzene;europium (CID 177065995) is 3-[4-(3,6-ditert-butylcarbazol-9-yl)benzoyl]-4-hydroxy-1-methylquinolin-2-one;diphenylphosphorylbenzene;europium.
What is the SMILES notation for 3-[4-(3,6-ditert-butylcarbazol-9-yl)benzoyl]-4-hydroxy-1-methylquinolin-2-one;diphenylphosphorylbenzene;europium?
The canonical SMILES for 3-[4-(3,6-ditert-butylcarbazol-9-yl)benzoyl]-4-hydroxy-1-methylquinolin-2-one;diphenylphosphorylbenzene;europium is Cn1c(=O)c(C(=O)c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2)c(O)c2ccccc21.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu].
What is the InChIKey of 3-[4-(3,6-ditert-butylcarbazol-9-yl)benzoyl]-4-hydroxy-1-methylquinolin-2-one;diphenylphosphorylbenzene;europium?
The InChIKey is FZTAOHIENHESLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36N2O3.C18H15OP.Eu/c1-36(2,3)23-14-18-30-27(20-23)28-21-24(37(4,5)6)15-19-31(28)39(30)25-16-12-22(13-17-25)33(40)32-34(41)26-10-8-9-11-29(26)38(7)35(32)42;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;/h8-21,41H,1-7H3;1-15H;.
What are the key properties of 3-[4-(3,6-ditert-butylcarbazol-9-yl)benzoyl]-4-hydroxy-1-methylquinolin-2-one;diphenylphosphorylbenzene;europium?
3-[4-(3,6-ditert-butylcarbazol-9-yl)benzoyl]-4-hydroxy-1-methylquinolin-2-one;diphenylphosphorylbenzene;europium has a molecular weight of 986.96 g/mol, XLogP of 11.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,6-ditert-butylcarbazol-9-yl)benzoyl]-4-hydroxy-1-methylquinolin-2-one;diphenylphosphorylbenzene;europium is sourced from PubChem (CID 177065995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).