2-(3,4-dimethylphenoxy)-7-[3-[[5-[6'-(3,4-dimethylphenoxy)spiro[fluorene-9,9'-xanthene]-3'-yl]oxy-2-methylphenyl]methyl]-4-methylphenoxy]fluoren-9-one

C69H52O6 — CID 155365779

IUPAC2-(3,4-dimethylphenoxy)-7-[3-[[5-[6'-(3,4-dimethylphenoxy)spiro[fluorene-9,9'-xanthene]-3'-yl]oxy-2-methylphenyl]methyl]-4-methylphenoxy]fluoren-9-one
SMILESCc1ccc(Oc2ccc3c(c2)Oc2cc(Oc4ccc(C)c(Cc5cc(Oc6ccc7c(c6)C(=O)c6cc(Oc8ccc(C)c(C)c8)ccc6-7)ccc5C)c4)ccc2C32c3ccccc3-c3ccccc32)cc1C
InChIInChI=1S/C69H52O6/c1-40-15-19-48(31-44(40)5)71-52-23-27-56-57-28-24-53(37-61(57)68(70)60(56)36-52)73-50-21-17-42(3)46(34-50)33-47-35-51(22-18-43(47)4)74-55-26-30-65-67(39-55)75-66-38-54(72-49-20-16-41(2)45(6)32-49)25-29-64(66)69(65)62-13-9-7-11-58(62)59-12-8-10-14-63(59)69/h7-32,34-39H,33H2,1-6H3
InChIKeyXFKHTUCYOQTPQO-UHFFFAOYSA-N
MW977.17 g/mol
LogP17.98
Rot. Bonds10

About 2-(3,4-dimethylphenoxy)-7-[3-[[5-[6'-(3,4-dimethylphenoxy)spiro[fluorene-9,9'-xanthene]-3'-yl]oxy-2-methylphenyl]methyl]-4-methylphenoxy]fluoren-9-one

2-(3,4-dimethylphenoxy)-7-[3-[[5-[6'-(3,4-dimethylphenoxy)spiro[fluorene-9,9'-xanthene]-3'-yl]oxy-2-methylphenyl]methyl]-4-methylphenoxy]fluoren-9-one (PubChem CID 155365779) has the molecular formula C69H52O6 and a molecular weight of 977.17 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-7-[3-[[5-[6'-(3,4-dimethylphenoxy)spiro[fluorene-9,9'-xanthene]-3'-yl]oxy-2-methylphenyl]methyl]-4-methylphenoxy]fluoren-9-one.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-7-[3-[[5-[6'-(3,4-dimethylphenoxy)spiro[fluorene-9,9'-xanthene]-3'-yl]oxy-2-methylphenyl]methyl]-4-methylphenoxy]fluoren-9-one
PubChem CID155365779
Molecular FormulaC69H52O6
Molecular Weight977.17 g/mol
Exact Mass976.38
IUPAC Name2-(3,4-dimethylphenoxy)-7-[3-[[5-[6'-(3,4-dimethylphenoxy)spiro[fluorene-9,9'-xanthene]-3'-yl]oxy-2-methylphenyl]methyl]-4-methylphenoxy]fluoren-9-one
SMILESCc1ccc(Oc2ccc3c(c2)Oc2cc(Oc4ccc(C)c(Cc5cc(Oc6ccc7c(c6)C(=O)c6cc(Oc8ccc(C)c(C)c8)ccc6-7)ccc5C)c4)ccc2C32c3ccccc3-c3ccccc32)cc1C
InChIInChI=1S/C69H52O6/c1-40-15-19-48(31-44(40)5)71-52-23-27-56-57-28-24-53(37-61(57)68(70)60(56)36-52)73-50-21-17-42(3)46(34-50)33-47-35-51(22-18-43(47)4)74-55-26-30-65-67(39-55)75-66-38-54(72-49-20-16-41(2)45(6)32-49)25-29-64(66)69(65)62-13-9-7-11-58(62)59-12-8-10-14-63(59)69/h7-32,34-39H,33H2,1-6H3
InChIKeyXFKHTUCYOQTPQO-UHFFFAOYSA-N
XLogP17.98
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.17
LogP ≤ 517.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,4-dimethylphenoxy)-7-[3-[[5-[6'-(3,4-dimethylphenoxy)spiro[fluorene-9,9'-xanthene]-3'-yl]oxy-2-methylphenyl]methyl]-4-methylphenoxy]fluoren-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-7-[3-[[5-[6'-(3,4-dimethylphenoxy)spiro[fluorene-9,9'-xanthene]-3'-yl]oxy-2-methylphenyl]methyl]-4-methylphenoxy]fluoren-9-one?
The IUPAC name of 2-(3,4-dimethylphenoxy)-7-[3-[[5-[6'-(3,4-dimethylphenoxy)spiro[fluorene-9,9'-xanthene]-3'-yl]oxy-2-methylphenyl]methyl]-4-methylphenoxy]fluoren-9-one (CID 155365779) is 2-(3,4-dimethylphenoxy)-7-[3-[[5-[6'-(3,4-dimethylphenoxy)spiro[fluorene-9,9'-xanthene]-3'-yl]oxy-2-methylphenyl]methyl]-4-methylphenoxy]fluoren-9-one.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-7-[3-[[5-[6'-(3,4-dimethylphenoxy)spiro[fluorene-9,9'-xanthene]-3'-yl]oxy-2-methylphenyl]methyl]-4-methylphenoxy]fluoren-9-one?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-7-[3-[[5-[6'-(3,4-dimethylphenoxy)spiro[fluorene-9,9'-xanthene]-3'-yl]oxy-2-methylphenyl]methyl]-4-methylphenoxy]fluoren-9-one is Cc1ccc(Oc2ccc3c(c2)Oc2cc(Oc4ccc(C)c(Cc5cc(Oc6ccc7c(c6)C(=O)c6cc(Oc8ccc(C)c(C)c8)ccc6-7)ccc5C)c4)ccc2C32c3ccccc3-c3ccccc32)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-7-[3-[[5-[6'-(3,4-dimethylphenoxy)spiro[fluorene-9,9'-xanthene]-3'-yl]oxy-2-methylphenyl]methyl]-4-methylphenoxy]fluoren-9-one?
The InChIKey is XFKHTUCYOQTPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H52O6/c1-40-15-19-48(31-44(40)5)71-52-23-27-56-57-28-24-53(37-61(57)68(70)60(56)36-52)73-50-21-17-42(3)46(34-50)33-47-35-51(22-18-43(47)4)74-55-26-30-65-67(39-55)75-66-38-54(72-49-20-16-41(2)45(6)32-49)25-29-64(66)69(65)62-13-9-7-11-58(62)59-12-8-10-14-63(59)69/h7-32,34-39H,33H2,1-6H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-7-[3-[[5-[6'-(3,4-dimethylphenoxy)spiro[fluorene-9,9'-xanthene]-3'-yl]oxy-2-methylphenyl]methyl]-4-methylphenoxy]fluoren-9-one?
2-(3,4-dimethylphenoxy)-7-[3-[[5-[6'-(3,4-dimethylphenoxy)spiro[fluorene-9,9'-xanthene]-3'-yl]oxy-2-methylphenyl]methyl]-4-methylphenoxy]fluoren-9-one has a molecular weight of 977.17 g/mol, XLogP of 17.98, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-7-[3-[[5-[6'-(3,4-dimethylphenoxy)spiro[fluorene-9,9'-xanthene]-3'-yl]oxy-2-methylphenyl]methyl]-4-methylphenoxy]fluoren-9-one is sourced from PubChem (CID 155365779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).