4-[2-[7'-[2-(4-hydroxyphenyl)propan-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]propan-2-yl]phenol

C43H36O3 — CID 23369068

IUPAC4-[2-[7'-[2-(4-hydroxyphenyl)propan-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc2c(c1)C1(c3cc(C(C)(C)c4ccc(O)cc4)ccc3O2)c2ccccc2-c2ccccc21
InChIInChI=1S/C43H36O3/c1-41(2,27-13-19-31(44)20-14-27)29-17-23-39-37(25-29)43(35-11-7-5-9-33(35)34-10-6-8-12-36(34)43)38-26-30(18-24-40(38)46-39)42(3,4)28-15-21-32(45)22-16-28/h5-26,44-45H,1-4H3
InChIKeyIDRHMASULWABAY-UHFFFAOYSA-N
MW600.76 g/mol
LogP10.22
Rot. Bonds4

About 4-[2-[7'-[2-(4-hydroxyphenyl)propan-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]propan-2-yl]phenol

4-[2-[7'-[2-(4-hydroxyphenyl)propan-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]propan-2-yl]phenol (PubChem CID 23369068) has the molecular formula C43H36O3 and a molecular weight of 600.76 g/mol. Its IUPAC name is 4-[2-[7'-[2-(4-hydroxyphenyl)propan-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-[7'-[2-(4-hydroxyphenyl)propan-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]propan-2-yl]phenol
PubChem CID23369068
Molecular FormulaC43H36O3
Molecular Weight600.76 g/mol
Exact Mass600.27
IUPAC Name4-[2-[7'-[2-(4-hydroxyphenyl)propan-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc2c(c1)C1(c3cc(C(C)(C)c4ccc(O)cc4)ccc3O2)c2ccccc2-c2ccccc21
InChIInChI=1S/C43H36O3/c1-41(2,27-13-19-31(44)20-14-27)29-17-23-39-37(25-29)43(35-11-7-5-9-33(35)34-10-6-8-12-36(34)43)38-26-30(18-24-40(38)46-39)42(3,4)28-15-21-32(45)22-16-28/h5-26,44-45H,1-4H3
InChIKeyIDRHMASULWABAY-UHFFFAOYSA-N
XLogP10.22
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.76
LogP ≤ 510.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[7'-(4-hydroxyphenyl)spiro[fluorene-9,9'-xanthene]-2'-yl]phenol
CID 23369045
2,7-ditert-butylspiro[fluorene-9,9'-xanthene]
CID 90153663
2',7'-ditert-butyl-N-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)-N-(9,9-dimethylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174284182
2',7'-ditert-butyl-N,N-bis(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174284062
2-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethylxanthene
CID 177127900
2,7-ditert-butyl-N-(2-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2'-amine
CID 174281956
2-tert-butyl-9,9'-spirobi[fluorene];2,2-dimethylpropane;ethane
CID 167665331
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 174279588
boric acid;spiro[fluorene-9,9'-xanthene]
CID 175979012
3,6-ditert-butyl-9,9'-spirobi[fluorene]
CID 156624536
2'-[9,9-bis(3-tert-butylphenyl)fluoren-4-yl]spiro[fluorene-9,9'-xanthene]
CID 170037301
2,3-dimethyl-3-[methyl(spiro[fluorene-9,9'-xanthene]-2'-yl)boranyl]oxybutan-2-ol
CID 145358304

Frequently Asked Questions

What is the IUPAC name of 4-[2-[7'-[2-(4-hydroxyphenyl)propan-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]propan-2-yl]phenol?
The IUPAC name of 4-[2-[7'-[2-(4-hydroxyphenyl)propan-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]propan-2-yl]phenol (CID 23369068) is 4-[2-[7'-[2-(4-hydroxyphenyl)propan-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]propan-2-yl]phenol.
What is the SMILES notation for 4-[2-[7'-[2-(4-hydroxyphenyl)propan-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]propan-2-yl]phenol?
The canonical SMILES for 4-[2-[7'-[2-(4-hydroxyphenyl)propan-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]propan-2-yl]phenol is CC(C)(c1ccc(O)cc1)c1ccc2c(c1)C1(c3cc(C(C)(C)c4ccc(O)cc4)ccc3O2)c2ccccc2-c2ccccc21.
What is the InChIKey of 4-[2-[7'-[2-(4-hydroxyphenyl)propan-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]propan-2-yl]phenol?
The InChIKey is IDRHMASULWABAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H36O3/c1-41(2,27-13-19-31(44)20-14-27)29-17-23-39-37(25-29)43(35-11-7-5-9-33(35)34-10-6-8-12-36(34)43)38-26-30(18-24-40(38)46-39)42(3,4)28-15-21-32(45)22-16-28/h5-26,44-45H,1-4H3.
What are the key properties of 4-[2-[7'-[2-(4-hydroxyphenyl)propan-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]propan-2-yl]phenol?
4-[2-[7'-[2-(4-hydroxyphenyl)propan-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]propan-2-yl]phenol has a molecular weight of 600.76 g/mol, XLogP of 10.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[7'-[2-(4-hydroxyphenyl)propan-2-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]propan-2-yl]phenol is sourced from PubChem (CID 23369068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).