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

C111H72O6 — CID 161440749

IUPAC2,4'-diphenyl-9,9'-spirobi[xanthene];3,4'-diphenyl-9,9'-spirobi[xanthene];4,4'-diphenyl-9,9'-spirobi[xanthene]
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3Oc3c(-c4ccccc4)cccc32)cc1.c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3c(-c4ccccc4)cccc32)cc1.c1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3Oc3c(-c4ccccc4)cccc32)cc1
InChIInChI=1S/3C37H24O2/c1-3-13-25(14-4-1)27-17-11-21-31-35(27)38-33-23-9-7-19-29(33)37(31)30-20-8-10-24-34(30)39-36-28(18-12-22-32(36)37)26-15-5-2-6-16-26;1-3-12-25(13-4-1)27-22-23-31-35(24-27)38-33-20-9-7-17-29(33)37(31)30-18-8-10-21-34(30)39-36-28(16-11-19-32(36)37)26-14-5-2-6-15-26;1-3-12-25(13-4-1)27-22-23-35-32(24-27)37(29-17-7-9-20-33(29)38-35)30-18-8-10-21-34(30)39-36-28(16-11-19-31(36)37)26-14-5-2-6-15-26/h3*1-24H
InChIKeyVZFWINCCGFMUAW-UHFFFAOYSA-N
MW1501.79 g/mol
LogP28.84
Rot. Bonds6

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

2,4'-diphenyl-9,9'-spirobi[xanthene];3,4'-diphenyl-9,9'-spirobi[xanthene];4,4'-diphenyl-9,9'-spirobi[xanthene] (PubChem CID 161440749) has the molecular formula C111H72O6 and a molecular weight of 1501.79 g/mol. Its IUPAC name is 2,4'-diphenyl-9,9'-spirobi[xanthene];3,4'-diphenyl-9,9'-spirobi[xanthene];4,4'-diphenyl-9,9'-spirobi[xanthene].

Molecular Properties

Compound Name2,4'-diphenyl-9,9'-spirobi[xanthene];3,4'-diphenyl-9,9'-spirobi[xanthene];4,4'-diphenyl-9,9'-spirobi[xanthene]
PubChem CID161440749
Molecular FormulaC111H72O6
Molecular Weight1501.79 g/mol
Exact Mass1500.53
IUPAC Name2,4'-diphenyl-9,9'-spirobi[xanthene];3,4'-diphenyl-9,9'-spirobi[xanthene];4,4'-diphenyl-9,9'-spirobi[xanthene]
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3Oc3c(-c4ccccc4)cccc32)cc1.c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3c(-c4ccccc4)cccc32)cc1.c1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3Oc3c(-c4ccccc4)cccc32)cc1
InChIInChI=1S/3C37H24O2/c1-3-13-25(14-4-1)27-17-11-21-31-35(27)38-33-23-9-7-19-29(33)37(31)30-20-8-10-24-34(30)39-36-28(18-12-22-32(36)37)26-15-5-2-6-16-26;1-3-12-25(13-4-1)27-22-23-31-35(24-27)38-33-20-9-7-17-29(33)37(31)30-18-8-10-21-34(30)39-36-28(16-11-19-32(36)37)26-14-5-2-6-15-26;1-3-12-25(13-4-1)27-22-23-35-32(24-27)37(29-17-7-9-20-33(29)38-35)30-18-8-10-21-34(30)39-36-28(16-11-19-31(36)37)26-14-5-2-6-15-26/h3*1-24H
InChIKeyVZFWINCCGFMUAW-UHFFFAOYSA-N
XLogP28.84
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001501.79
LogP ≤ 528.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
3,3'-diphenyl-9,9'-spirobi[xanthene]
CID 118698118
2',7'-diphenyl-9,9'-spirobi[xanthene]
CID 118698131
2-[3-[3-(9,9-diphenylxanthen-3-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[3-[3-(9,9-diphenylxanthen-4-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylxanthen-2-yl)-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 161404978
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine
CID 160749645
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]pyrimidine
CID 137388381
2,4-diphenyl-6-[4-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 137388725
2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)-1,3,5-triazine
CID 130379042
9-phenyl-1-(1-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole;9-phenyl-1-(2'-phenyl-9,9'-spirobi[xanthene]-3-yl)carbazole;9-phenyl-1-(3-phenyl-9,9'-spirobi[xanthene]-3'-yl)carbazole;9-phenyl-1-(4'-phenyl-9,9'-spirobi[xanthene]-3-yl)carbazole
CID 160615225
3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170243199
9-phenyl-1-(1'-phenyl-9,9'-spirobi[xanthene]-2-yl)carbazole;9-phenyl-1-(2-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole;9-phenyl-1-(3-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole;9-phenyl-1-(4'-phenyl-9,9'-spirobi[xanthene]-1-yl)carbazole
CID 157405782
4-[4-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-4'-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 166995669

Frequently Asked Questions

What is the IUPAC name of 2,4'-diphenyl-9,9'-spirobi[xanthene];3,4'-diphenyl-9,9'-spirobi[xanthene];4,4'-diphenyl-9,9'-spirobi[xanthene]?
The IUPAC name of 2,4'-diphenyl-9,9'-spirobi[xanthene];3,4'-diphenyl-9,9'-spirobi[xanthene];4,4'-diphenyl-9,9'-spirobi[xanthene] (CID 161440749) is 2,4'-diphenyl-9,9'-spirobi[xanthene];3,4'-diphenyl-9,9'-spirobi[xanthene];4,4'-diphenyl-9,9'-spirobi[xanthene].
What is the SMILES notation for 2,4'-diphenyl-9,9'-spirobi[xanthene];3,4'-diphenyl-9,9'-spirobi[xanthene];4,4'-diphenyl-9,9'-spirobi[xanthene]?
The canonical SMILES for 2,4'-diphenyl-9,9'-spirobi[xanthene];3,4'-diphenyl-9,9'-spirobi[xanthene];4,4'-diphenyl-9,9'-spirobi[xanthene] is c1ccc(-c2ccc3c(c2)C2(c4ccccc4O3)c3ccccc3Oc3c(-c4ccccc4)cccc32)cc1.c1ccc(-c2ccc3c(c2)Oc2ccccc2C32c3ccccc3Oc3c(-c4ccccc4)cccc32)cc1.c1ccc(-c2cccc3c2Oc2ccccc2C32c3ccccc3Oc3c(-c4ccccc4)cccc32)cc1.
What is the InChIKey of 2,4'-diphenyl-9,9'-spirobi[xanthene];3,4'-diphenyl-9,9'-spirobi[xanthene];4,4'-diphenyl-9,9'-spirobi[xanthene]?
The InChIKey is VZFWINCCGFMUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C37H24O2/c1-3-13-25(14-4-1)27-17-11-21-31-35(27)38-33-23-9-7-19-29(33)37(31)30-20-8-10-24-34(30)39-36-28(18-12-22-32(36)37)26-15-5-2-6-16-26;1-3-12-25(13-4-1)27-22-23-31-35(24-27)38-33-20-9-7-17-29(33)37(31)30-18-8-10-21-34(30)39-36-28(16-11-19-32(36)37)26-14-5-2-6-15-26;1-3-12-25(13-4-1)27-22-23-35-32(24-27)37(29-17-7-9-20-33(29)38-35)30-18-8-10-21-34(30)39-36-28(16-11-19-31(36)37)26-14-5-2-6-15-26/h3*1-24H.
What are the key properties of 2,4'-diphenyl-9,9'-spirobi[xanthene];3,4'-diphenyl-9,9'-spirobi[xanthene];4,4'-diphenyl-9,9'-spirobi[xanthene]?
2,4'-diphenyl-9,9'-spirobi[xanthene];3,4'-diphenyl-9,9'-spirobi[xanthene];4,4'-diphenyl-9,9'-spirobi[xanthene] has a molecular weight of 1501.79 g/mol, XLogP of 28.84, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4'-diphenyl-9,9'-spirobi[xanthene];3,4'-diphenyl-9,9'-spirobi[xanthene];4,4'-diphenyl-9,9'-spirobi[xanthene] is sourced from PubChem (CID 161440749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).