2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-diphenylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole

C55H34N2O2 — CID 164803933

About 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-diphenylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole

2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-diphenylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole (PubChem CID 164803933) has the molecular formula C55H34N2O2 and a molecular weight of 754.89 g/mol. Its IUPAC name is 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-diphenylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-diphenylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole
• PubChem CID: 164803933
• Molecular Formula: C55H34N2O2
• Molecular Weight: 754.89 g/mol
• Exact Mass: 754.26
• IUPAC Name: 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-diphenylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole
• SMILES: c1ccc(C2(c3ccccc3)c3ccc(-c4cccc(-c5cc(-c6nc7ccccc7o6)cc(-c6nc7ccccc7o6)c5)c4)cc3-c3c2ccc2ccccc32)cc1
• InChI: InChI=1S/C55H34N2O2/c1-3-17-42(18-4-1)55(43-19-5-2-6-20-43)46-28-27-38(34-45(46)52-44-21-8-7-14-35(44)26-29-47(52)55)36-15-13-16-37(30-36)39-31-40(53-56-48-22-9-11-24-50(48)58-53)33-41(32-39)54-57-49-23-10-12-25-51(49)59-54/h1-34H
• InChIKey: DUKNMPWEJDNPQN-UHFFFAOYSA-N
• XLogP: 14.15
• TPSA: 52.06 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	754.89
LogP ≤ 5	14.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-diphenylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole?

The IUPAC name of 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-diphenylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole (CID 164803933) is 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-diphenylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole.

What is the SMILES notation for 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-diphenylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole?

The canonical SMILES for 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-diphenylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole is c1ccc(C2(c3ccccc3)c3ccc(-c4cccc(-c5cc(-c6nc7ccccc7o6)cc(-c6nc7ccccc7o6)c5)c4)cc3-c3c2ccc2ccccc32)cc1.

What is the InChIKey of 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-diphenylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole?

The InChIKey is DUKNMPWEJDNPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2O2/c1-3-17-42(18-4-1)55(43-19-5-2-6-20-43)46-28-27-38(34-45(46)52-44-21-8-7-14-35(44)26-29-47(52)55)36-15-13-16-37(30-36)39-31-40(53-56-48-22-9-11-24-50(48)58-53)33-41(32-39)54-57-49-23-10-12-25-51(49)59-54/h1-34H.

What are the key properties of 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-diphenylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole?

2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-diphenylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole has a molecular weight of 754.89 g/mol, XLogP of 14.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(1,3-benzoxazol-2-yl)-5-[3-(7,7-diphenylbenzo[c]fluoren-10-yl)phenyl]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 164803933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).