5-[8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromen-5-yl]oxy-8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromene

C54H38F4O7 — CID 162720817

About 5-[8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromen-5-yl]oxy-8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromene

5-[8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromen-5-yl]oxy-8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromene (PubChem CID 162720817) has the molecular formula C54H38F4O7 and a molecular weight of 874.88 g/mol. Its IUPAC name is 5-[8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromen-5-yl]oxy-8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromene.

Molecular Properties

• Compound Name: 5-[8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromen-5-yl]oxy-8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromene
• PubChem CID: 162720817
• Molecular Formula: C54H38F4O7
• Molecular Weight: 874.88 g/mol
• Exact Mass: 874.26
• IUPAC Name: 5-[8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromen-5-yl]oxy-8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromene
• SMILES: COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(Oc4cc5cc(F)cc(F)c5c5c4C=CC(c4ccc(OC)cc4)(c4ccc(OC)cc4)O5)cc4cc(F)cc(F)c4c3O2)cc1
• InChI: InChI=1S/C54H38F4O7/c1-59-39-13-5-33(6-14-39)53(34-7-15-40(60-2)16-8-34)23-21-43-47(27-31-25-37(55)29-45(57)49(31)51(43)64-53)63-48-28-32-26-38(56)30-46(58)50(32)52-44(48)22-24-54(65-52,35-9-17-41(61-3)18-10-35)36-11-19-42(62-4)20-12-36/h5-30H,1-4H3
• InChIKey: XMYIUVYZHUEHDN-UHFFFAOYSA-N
• XLogP: 13.07
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	874.88
LogP ≤ 5	13.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromen-5-yl]oxy-8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromene?

The IUPAC name of 5-[8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromen-5-yl]oxy-8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromene (CID 162720817) is 5-[8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromen-5-yl]oxy-8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromene.

What is the SMILES notation for 5-[8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromen-5-yl]oxy-8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromene?

The canonical SMILES for 5-[8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromen-5-yl]oxy-8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromene is COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(Oc4cc5cc(F)cc(F)c5c5c4C=CC(c4ccc(OC)cc4)(c4ccc(OC)cc4)O5)cc4cc(F)cc(F)c4c3O2)cc1.

What is the InChIKey of 5-[8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromen-5-yl]oxy-8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromene?

The InChIKey is XMYIUVYZHUEHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38F4O7/c1-59-39-13-5-33(6-14-39)53(34-7-15-40(60-2)16-8-34)23-21-43-47(27-31-25-37(55)29-45(57)49(31)51(43)64-53)63-48-28-32-26-38(56)30-46(58)50(32)52-44(48)22-24-54(65-52,35-9-17-41(61-3)18-10-35)36-11-19-42(62-4)20-12-36/h5-30H,1-4H3.

What are the key properties of 5-[8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromen-5-yl]oxy-8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromene?

5-[8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromen-5-yl]oxy-8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromene has a molecular weight of 874.88 g/mol, XLogP of 13.07, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromen-5-yl]oxy-8,10-difluoro-2,2-bis(4-methoxyphenyl)benzo[h]chromene is sourced from PubChem (CID 162720817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).