2-phenyl-4-(3-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole

C49H30N2O — CID 137473260

IUPAC2-phenyl-4-(3-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole
SMILESc1ccc(-c2nc3c(-c4cccc(-c5cccnc5)c4)cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3o2)cc1
InChIInChI=1S/C49H30N2O/c1-2-12-31(13-3-1)48-51-47-41(34-15-10-14-32(26-34)35-16-11-25-50-30-35)27-36(29-46(47)52-48)33-23-24-40-39-19-6-9-22-44(39)49(45(40)28-33)42-20-7-4-17-37(42)38-18-5-8-21-43(38)49/h1-30H
InChIKeyDESNWQUOLCHYSK-UHFFFAOYSA-N
MW662.79 g/mol
LogP12.23
Rot. Bonds4

About 2-phenyl-4-(3-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole

2-phenyl-4-(3-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole (PubChem CID 137473260) has the molecular formula C49H30N2O and a molecular weight of 662.79 g/mol. Its IUPAC name is 2-phenyl-4-(3-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-phenyl-4-(3-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole
PubChem CID137473260
Molecular FormulaC49H30N2O
Molecular Weight662.79 g/mol
Exact Mass662.24
IUPAC Name2-phenyl-4-(3-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole
SMILESc1ccc(-c2nc3c(-c4cccc(-c5cccnc5)c4)cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3o2)cc1
InChIInChI=1S/C49H30N2O/c1-2-12-31(13-3-1)48-51-47-41(34-15-10-14-32(26-34)35-16-11-25-50-30-35)27-36(29-46(47)52-48)33-23-24-40-39-19-6-9-22-44(39)49(45(40)28-33)42-20-7-4-17-37(42)38-18-5-8-21-43(38)49/h1-30H
InChIKeyDESNWQUOLCHYSK-UHFFFAOYSA-N
XLogP12.23
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.79
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-4-(3-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-bis(3,5-diphenylphenyl)-2-pyridin-3-yl-1,3-benzoxazole;4,6-bis[3-(4-ethylphenyl)phenyl]-2-(4-pyridin-3-ylphenyl)-1,3-benzoxazole;2-(4-naphthalen-1-ylphenyl)-6-phenanthren-9-yl-4-(3-pyridin-3-ylphenyl)-1,3-benzoxazole;6-(3-phenylphenyl)-4-(3-pyridin-3-ylphenyl)-2-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3-benzoxazole
CID 158589274
4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-6-pyridin-3-yl-1,3-benzoxazole
CID 153310215
2-(4-pyridin-3-ylphenyl)-4,6-di(triphenylen-2-yl)-1,3-benzoxazole
CID 137473248
4,6-bis(4-naphthalen-1-ylphenyl)-2-[3-(4-pyridin-3-ylphenyl)phenyl]-1,3-benzoxazole
CID 137473226
3-[3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(3-pyridin-3-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 164785730
3-[3-[3-(9,9-diphenylfluoren-2-yl)-5-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
CID 155116760
2-(3-pyridin-3-ylphenyl)-4-(3-pyridin-4-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine
CID 153287700
2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine
CID 134571377
2-[3-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 146633258
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 130261378
2,4-bis(3-phenylphenyl)-6-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine;2,4-bis(3-pyridin-3-ylphenyl)-6-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 157053825
7'-[3-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]-5-pyridin-3-ylphenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 171421385

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(3-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole?
The IUPAC name of 2-phenyl-4-(3-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole (CID 137473260) is 2-phenyl-4-(3-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-phenyl-4-(3-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole?
The canonical SMILES for 2-phenyl-4-(3-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole is c1ccc(-c2nc3c(-c4cccc(-c5cccnc5)c4)cc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)cc3o2)cc1.
What is the InChIKey of 2-phenyl-4-(3-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole?
The InChIKey is DESNWQUOLCHYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2O/c1-2-12-31(13-3-1)48-51-47-41(34-15-10-14-32(26-34)35-16-11-25-50-30-35)27-36(29-46(47)52-48)33-23-24-40-39-19-6-9-22-44(39)49(45(40)28-33)42-20-7-4-17-37(42)38-18-5-8-21-43(38)49/h1-30H.
What are the key properties of 2-phenyl-4-(3-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole?
2-phenyl-4-(3-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole has a molecular weight of 662.79 g/mol, XLogP of 12.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(3-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole is sourced from PubChem (CID 137473260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).