(2R,3S,4S)-2-[3,4-bis(phenylmethoxy)phenyl]-4-[(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromen-8-yl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene

C100H86O12 — CID 102464492

About (2R,3S,4S)-2-[3,4-bis(phenylmethoxy)phenyl]-4-[(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromen-8-yl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene

(2R,3S,4S)-2-[3,4-bis(phenylmethoxy)phenyl]-4-[(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromen-8-yl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene (PubChem CID 102464492) has the molecular formula C100H86O12 and a molecular weight of 1479.78 g/mol. Its IUPAC name is (2R,3S,4S)-2-[3,4-bis(phenylmethoxy)phenyl]-4-[(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromen-8-yl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene.

Molecular Properties

• Compound Name: (2R,3S,4S)-2-[3,4-bis(phenylmethoxy)phenyl]-4-[(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromen-8-yl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene
• PubChem CID: 102464492
• Molecular Formula: C100H86O12
• Molecular Weight: 1479.78 g/mol
• Exact Mass: 1478.61
• IUPAC Name: (2R,3S,4S)-2-[3,4-bis(phenylmethoxy)phenyl]-4-[(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromen-8-yl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene
• SMILES: c1ccc(COc2cc(OCc3ccccc3)c3c(c2)O[C@H](c2ccc(OCc4ccccc4)c(OCc4ccccc4)c2)[C@@H](OCc2ccccc2)[C@@H]3c2c(OCc3ccccc3)cc(OCc3ccccc3)c3c2O[C@H](c2ccc(OCc4ccccc4)c(OCc4ccccc4)c2)[C@@H](OCc2ccccc2)C3)cc1
• InChI: InChI=1S/C100H86O12/c1-11-31-71(32-12-1)61-101-83-57-90(107-67-77-43-23-7-24-44-77)94-92(58-83)111-98(82-52-54-86(103-63-73-35-15-3-16-36-73)89(56-82)106-66-76-41-21-6-22-42-76)100(110-70-80-49-29-10-30-50-80)96(94)95-91(108-68-78-45-25-8-26-46-78)60-87(104-64-74-37-17-4-18-38-74)84-59-93(109-69-79-47-27-9-28-48-79)97(112-99(84)95)81-51-53-85(102-62-72-33-13-2-14-34-72)88(55-81)105-65-75-39-19-5-20-40-75/h1-58,60,93,96-98,100H,59,61-70H2/t93-,96-,97+,98+,100-/m0/s1
• InChIKey: BRNABFWRIGGLLS-CPQHPADQSA-N
• XLogP: 22.43
• TPSA: 110.76 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 33
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1479.78
LogP ≤ 5	22.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-[3,4-bis(phenylmethoxy)phenyl]-4-[(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromen-8-yl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene?

The IUPAC name of (2R,3S,4S)-2-[3,4-bis(phenylmethoxy)phenyl]-4-[(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromen-8-yl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene (CID 102464492) is (2R,3S,4S)-2-[3,4-bis(phenylmethoxy)phenyl]-4-[(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromen-8-yl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene.

What is the SMILES notation for (2R,3S,4S)-2-[3,4-bis(phenylmethoxy)phenyl]-4-[(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromen-8-yl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene?

The canonical SMILES for (2R,3S,4S)-2-[3,4-bis(phenylmethoxy)phenyl]-4-[(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromen-8-yl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene is c1ccc(COc2cc(OCc3ccccc3)c3c(c2)O[C@H](c2ccc(OCc4ccccc4)c(OCc4ccccc4)c2)[C@@H](OCc2ccccc2)[C@@H]3c2c(OCc3ccccc3)cc(OCc3ccccc3)c3c2O[C@H](c2ccc(OCc4ccccc4)c(OCc4ccccc4)c2)[C@@H](OCc2ccccc2)C3)cc1.

What is the InChIKey of (2R,3S,4S)-2-[3,4-bis(phenylmethoxy)phenyl]-4-[(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromen-8-yl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene?

The InChIKey is BRNABFWRIGGLLS-CPQHPADQSA-N. The full InChI is InChI=1S/C100H86O12/c1-11-31-71(32-12-1)61-101-83-57-90(107-67-77-43-23-7-24-44-77)94-92(58-83)111-98(82-52-54-86(103-63-73-35-15-3-16-36-73)89(56-82)106-66-76-41-21-6-22-42-76)100(110-70-80-49-29-10-30-50-80)96(94)95-91(108-68-78-45-25-8-26-46-78)60-87(104-64-74-37-17-4-18-38-74)84-59-93(109-69-79-47-27-9-28-48-79)97(112-99(84)95)81-51-53-85(102-62-72-33-13-2-14-34-72)88(55-81)105-65-75-39-19-5-20-40-75/h1-58,60,93,96-98,100H,59,61-70H2/t93-,96-,97+,98+,100-/m0/s1.

What are the key properties of (2R,3S,4S)-2-[3,4-bis(phenylmethoxy)phenyl]-4-[(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromen-8-yl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene?

(2R,3S,4S)-2-[3,4-bis(phenylmethoxy)phenyl]-4-[(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromen-8-yl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene has a molecular weight of 1479.78 g/mol, XLogP of 22.43, 33 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S,4S)-2-[3,4-bis(phenylmethoxy)phenyl]-4-[(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromen-8-yl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 102464492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).