2-[5-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole

C49H40N4O2 — CID 135250029

IUPAC2-[5-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2cncc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5cncc(C6=NC(C)(C)CO6)c5)c5ccccc5c3-4)c2)=N1
InChIInChI=1S/C49H40N4O2/c1-47(2)29-54-45(52-47)34-21-32(25-50-27-34)31-19-20-40-42(23-31)49(36-13-7-5-8-14-36,37-15-9-6-10-16-37)43-24-41(38-17-11-12-18-39(38)44(40)43)33-22-35(28-51-26-33)46-53-48(3,4)30-55-46/h5-28H,29-30H2,1-4H3
InChIKeyJCNUEHPECVVDJO-UHFFFAOYSA-N
MW716.88 g/mol
LogP10.44
Rot. Bonds6

About 2-[5-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole

2-[5-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 135250029) has the molecular formula C49H40N4O2 and a molecular weight of 716.88 g/mol. Its IUPAC name is 2-[5-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[5-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID135250029
Molecular FormulaC49H40N4O2
Molecular Weight716.88 g/mol
Exact Mass716.32
IUPAC Name2-[5-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2cncc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5cncc(C6=NC(C)(C)CO6)c5)c5ccccc5c3-4)c2)=N1
InChIInChI=1S/C49H40N4O2/c1-47(2)29-54-45(52-47)34-21-32(25-50-27-34)31-19-20-40-42(23-31)49(36-13-7-5-8-14-36,37-15-9-6-10-16-37)43-24-41(38-17-11-12-18-39(38)44(40)43)33-22-35(28-51-26-33)46-53-48(3,4)30-55-46/h5-28H,29-30H2,1-4H3
InChIKeyJCNUEHPECVVDJO-UHFFFAOYSA-N
XLogP10.44
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.88
LogP ≤ 510.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole with MolForge

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Related Compounds

7,7-diphenyl-5,9-bis[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[c]fluorene
CID 59755297
7,7-diphenyl-5,9-bis[3-(3-phenylphenyl)phenyl]benzo[c]fluorene
CID 59755365
4,4,5,5-tetramethyl-2-[3-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-1,3-oxazole
CID 135249758
4,4-dimethyl-2-[4-(9-naphthalen-2-yl-7,7-diphenylbenzo[c]fluoren-5-yl)phenyl]-5H-1,3-thiazole
CID 135249763
2-[5-[7,7-diphenyl-9-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]benzo[c]fluoren-5-yl]-2-pyridinyl]-4,4,5,5-tetramethyl-1,3-thiazole
CID 135250034
2-(2,4,4,5,5-pentamethylimidazol-1-yl)-5-[9-[6-(2,4,4,5,5-pentamethylimidazol-1-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]pyridine
CID 135250038
5,9-dinaphthalen-2-yl-7,7-diphenylbenzo[c]fluorene;ethene;propane
CID 144772565
3-isocyano-5-[3-(5-phenylspiro[benzo[g]fluorene-7,9'-fluorene]-9-yl)phenyl]pyridine
CID 140769113
5-[3-[9,9-dimethyl-7-[3-(1,3-oxazol-5-yl)phenyl]fluoren-2-yl]phenyl]-1,3-oxazole;5-[3-[9,9-dimethyl-7-[3-(1,3-thiazol-5-yl)phenyl]fluoren-2-yl]phenyl]-1,3-thiazole;5-[3-[7,7-diphenyl-9-[3-(1,3-thiazol-5-yl)phenyl]benzo[c]fluoren-5-yl]phenyl]-1,3-thiazole;5-[3-[9-[3-(1,3-oxazol-5-yl)phenyl]-7,7-diphenylbenzo[c]fluoren-5-yl]phenyl]-1,3-oxazole;5-[3-[7'-[3-(1,3-oxazol-5-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-1,3-oxazole;5-[3-[7'-[3-(1,3-thiazol-5-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]-1,3-thiazole
CID 160766679
5',9'-bis(3,5-diphenylphenyl)-9,9-dimethylspiro[anthracene-10,7'-benzo[c]fluorene]
CID 171742936
9-phenanthren-9-yl-5,7,7-triphenylbenzo[c]fluorene
CID 59755306
2-[5-[7'-[6-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-9,9'-spirobi[fluorene]-2'-yl]-2-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole
CID 135249963

Frequently Asked Questions

What is the IUPAC name of 2-[5-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[5-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole (CID 135250029) is 2-[5-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[5-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[5-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2cncc(-c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3cc(-c5cncc(C6=NC(C)(C)CO6)c5)c5ccccc5c3-4)c2)=N1.
What is the InChIKey of 2-[5-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is JCNUEHPECVVDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H40N4O2/c1-47(2)29-54-45(52-47)34-21-32(25-50-27-34)31-19-20-40-42(23-31)49(36-13-7-5-8-14-36,37-15-9-6-10-16-37)43-24-41(38-17-11-12-18-39(38)44(40)43)33-22-35(28-51-26-33)46-53-48(3,4)30-55-46/h5-28H,29-30H2,1-4H3.
What are the key properties of 2-[5-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[5-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 716.88 g/mol, XLogP of 10.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[9-[5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-3-pyridinyl]-7,7-diphenylbenzo[c]fluoren-5-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 135250029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).