3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene]

C32H22O — CID 170243199

IUPAC3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene]
SMILESCc1ccc2c(c1)-c1ccccc1C21c2ccccc2Oc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C32H22O/c1-21-15-17-27-25(19-21)24-11-5-6-12-26(24)32(27)28-13-7-8-14-30(28)33-31-18-16-23(20-29(31)32)22-9-3-2-4-10-22/h2-20H,1H3
InChIKeyQNFPBLIUFUCUAB-UHFFFAOYSA-N
MW422.53 g/mol
LogP8.13
Rot. Bonds1

About 3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene]

3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene] (PubChem CID 170243199) has the molecular formula C32H22O and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene]
PubChem CID170243199
Molecular FormulaC32H22O
Molecular Weight422.53 g/mol
Exact Mass422.17
IUPAC Name3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene]
SMILESCc1ccc2c(c1)-c1ccccc1C21c2ccccc2Oc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C32H22O/c1-21-15-17-27-25(19-21)24-11-5-6-12-26(24)32(27)28-13-7-8-14-30(28)33-31-18-16-23(20-29(31)32)22-9-3-2-4-10-22/h2-20H,1H3
InChIKeyQNFPBLIUFUCUAB-UHFFFAOYSA-N
XLogP8.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2',7'-diphenyl-9,9'-spirobi[xanthene]
CID 118698131
2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
4-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138476305
2-bromo-2'-phenylspiro[fluorene-9,9'-xanthene]
CID 170180907
2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
2'-chloro-7'-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]
CID 155235359
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184
2,4'-diphenyl-9,9'-spirobi[xanthene];3,4'-diphenyl-9,9'-spirobi[xanthene];4,4'-diphenyl-9,9'-spirobi[xanthene]
CID 161440749
2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,9'-xanthene]
CID 137388508
4,6-bis(4-phenylphenyl)-2-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 140947292
2,4-bis(3-phenylphenyl)-6-(3-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130378933

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene]?
The IUPAC name of 3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene] (CID 170243199) is 3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene] is Cc1ccc2c(c1)-c1ccccc1C21c2ccccc2Oc2ccc(-c3ccccc3)cc21.
What is the InChIKey of 3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene]?
The InChIKey is QNFPBLIUFUCUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O/c1-21-15-17-27-25(19-21)24-11-5-6-12-26(24)32(27)28-13-7-8-14-30(28)33-31-18-16-23(20-29(31)32)22-9-3-2-4-10-22/h2-20H,1H3.
What are the key properties of 3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene]?
3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene] has a molecular weight of 422.53 g/mol, XLogP of 8.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2'-phenylspiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 170243199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).