1',3-diphenyl-9,9'-spirobi[xanthene];1,4'-diphenyl-9,9'-spirobi[xanthene];2',3-diphenyl-9,9'-spirobi[xanthene];3,3'-diphenyl-9,9'-spirobi[xanthene]

C148H96O8 — CID 157393766

About 1',3-diphenyl-9,9'-spirobi[xanthene];1,4'-diphenyl-9,9'-spirobi[xanthene];2',3-diphenyl-9,9'-spirobi[xanthene];3,3'-diphenyl-9,9'-spirobi[xanthene]

1',3-diphenyl-9,9'-spirobi[xanthene];1,4'-diphenyl-9,9'-spirobi[xanthene];2',3-diphenyl-9,9'-spirobi[xanthene];3,3'-diphenyl-9,9'-spirobi[xanthene] (PubChem CID 157393766) has the molecular formula C148H96O8 and a molecular weight of 2002.39 g/mol. Its IUPAC name is 1',3-diphenyl-9,9'-spirobi[xanthene];1,4'-diphenyl-9,9'-spirobi[xanthene];2',3-diphenyl-9,9'-spirobi[xanthene];3,3'-diphenyl-9,9'-spirobi[xanthene].

Molecular Properties

• Compound Name: 1',3-diphenyl-9,9'-spirobi[xanthene];1,4'-diphenyl-9,9'-spirobi[xanthene];2',3-diphenyl-9,9'-spirobi[xanthene];3,3'-diphenyl-9,9'-spirobi[xanthene]
• PubChem CID: 157393766
• Molecular Formula: C148H96O8
• Molecular Weight: 2002.39 g/mol
• Exact Mass: 2000.71
• IUPAC Name: 1',3-diphenyl-9,9'-spirobi[xanthene];1,4'-diphenyl-9,9'-spirobi[xanthene];2',3-diphenyl-9,9'-spirobi[xanthene];3,3'-diphenyl-9,9'-spirobi[xanthene]
• SMILES: c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3cc(-c4ccccc4)ccc32)cc1.c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3ccc(-c4ccccc4)cc32)cc1.c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3cccc(-c4ccccc4)c32)cc1.c1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3Oc3cccc(-c4ccccc4)c32)cc1
• InChI: InChI=1S/4C37H24O2/c1-3-13-25(14-4-1)27-17-12-24-34-35(27)37(29-19-7-9-22-32(29)38-34)30-20-8-10-23-33(30)39-36-28(18-11-21-31(36)37)26-15-5-2-6-16-26;1-3-12-25(13-4-1)27-22-23-31-35(24-27)39-33-20-10-8-18-30(33)37(31)29-17-7-9-19-32(29)38-34-21-11-16-28(36(34)37)26-14-5-2-6-15-26;1-3-11-25(12-4-1)27-20-22-35-32(23-27)37(29-15-7-9-17-33(29)38-35)30-16-8-10-18-34(30)39-36-24-28(19-21-31(36)37)26-13-5-2-6-14-26;1-3-11-25(12-4-1)27-19-21-31-35(23-27)38-33-17-9-7-15-29(33)37(31)30-16-8-10-18-34(30)39-36-24-28(20-22-32(36)37)26-13-5-2-6-14-26/h4*1-24H
• InChIKey: BMICOMZTRARIJS-UHFFFAOYSA-N
• XLogP: 38.46
• TPSA: 73.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2002.39
LogP ≤ 5	38.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1',3-diphenyl-9,9'-spirobi[xanthene];1,4'-diphenyl-9,9'-spirobi[xanthene];2',3-diphenyl-9,9'-spirobi[xanthene];3,3'-diphenyl-9,9'-spirobi[xanthene]?

The IUPAC name of 1',3-diphenyl-9,9'-spirobi[xanthene];1,4'-diphenyl-9,9'-spirobi[xanthene];2',3-diphenyl-9,9'-spirobi[xanthene];3,3'-diphenyl-9,9'-spirobi[xanthene] (CID 157393766) is 1',3-diphenyl-9,9'-spirobi[xanthene];1,4'-diphenyl-9,9'-spirobi[xanthene];2',3-diphenyl-9,9'-spirobi[xanthene];3,3'-diphenyl-9,9'-spirobi[xanthene].

What is the SMILES notation for 1',3-diphenyl-9,9'-spirobi[xanthene];1,4'-diphenyl-9,9'-spirobi[xanthene];2',3-diphenyl-9,9'-spirobi[xanthene];3,3'-diphenyl-9,9'-spirobi[xanthene]?

The canonical SMILES for 1',3-diphenyl-9,9'-spirobi[xanthene];1,4'-diphenyl-9,9'-spirobi[xanthene];2',3-diphenyl-9,9'-spirobi[xanthene];3,3'-diphenyl-9,9'-spirobi[xanthene] is c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3cc(-c4ccccc4)ccc32)cc1.c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3ccc(-c4ccccc4)cc32)cc1.c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3cccc(-c4ccccc4)c32)cc1.c1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3Oc3cccc(-c4ccccc4)c32)cc1.

What is the InChIKey of 1',3-diphenyl-9,9'-spirobi[xanthene];1,4'-diphenyl-9,9'-spirobi[xanthene];2',3-diphenyl-9,9'-spirobi[xanthene];3,3'-diphenyl-9,9'-spirobi[xanthene]?

The InChIKey is BMICOMZTRARIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/4C37H24O2/c1-3-13-25(14-4-1)27-17-12-24-34-35(27)37(29-19-7-9-22-32(29)38-34)30-20-8-10-23-33(30)39-36-28(18-11-21-31(36)37)26-15-5-2-6-16-26;1-3-12-25(13-4-1)27-22-23-31-35(24-27)39-33-20-10-8-18-30(33)37(31)29-17-7-9-19-32(29)38-34-21-11-16-28(36(34)37)26-14-5-2-6-15-26;1-3-11-25(12-4-1)27-20-22-35-32(23-27)37(29-15-7-9-17-33(29)38-35)30-16-8-10-18-34(30)39-36-24-28(19-21-31(36)37)26-13-5-2-6-14-26;1-3-11-25(12-4-1)27-19-21-31-35(23-27)38-33-17-9-7-15-29(33)37(31)30-16-8-10-18-34(30)39-36-24-28(20-22-32(36)37)26-13-5-2-6-14-26/h4*1-24H.

What are the key properties of 1',3-diphenyl-9,9'-spirobi[xanthene];1,4'-diphenyl-9,9'-spirobi[xanthene];2',3-diphenyl-9,9'-spirobi[xanthene];3,3'-diphenyl-9,9'-spirobi[xanthene]?

1',3-diphenyl-9,9'-spirobi[xanthene];1,4'-diphenyl-9,9'-spirobi[xanthene];2',3-diphenyl-9,9'-spirobi[xanthene];3,3'-diphenyl-9,9'-spirobi[xanthene] has a molecular weight of 2002.39 g/mol, XLogP of 38.46, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1',3-diphenyl-9,9'-spirobi[xanthene];1,4'-diphenyl-9,9'-spirobi[xanthene];2',3-diphenyl-9,9'-spirobi[xanthene];3,3'-diphenyl-9,9'-spirobi[xanthene] is sourced from PubChem (CID 157393766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).