9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene

C44H30O — CID 170017622

IUPAC9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene
SMILESCC1(C)c2ccccc2Oc2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cc5ccccc5cc43)cc21
InChIInChI=1S/C44H30O/c1-43(2)37-17-9-10-18-41(37)45-42-22-20-30(26-40(42)43)29-19-21-33-31-13-5-7-15-35(31)44(38(33)25-29)36-16-8-6-14-32(36)34-23-27-11-3-4-12-28(27)24-39(34)44/h3-26H,1-2H3
InChIKeyROVVMTZCYUQAKC-UHFFFAOYSA-N
MW574.72 g/mol
LogP11.28
Rot. Bonds1

About 9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene

9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene (PubChem CID 170017622) has the molecular formula C44H30O and a molecular weight of 574.72 g/mol. Its IUPAC name is 9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene.

Molecular Properties

Compound Name9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene
PubChem CID170017622
Molecular FormulaC44H30O
Molecular Weight574.72 g/mol
Exact Mass574.23
IUPAC Name9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene
SMILESCC1(C)c2ccccc2Oc2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cc5ccccc5cc43)cc21
InChIInChI=1S/C44H30O/c1-43(2)37-17-9-10-18-41(37)45-42-22-20-30(26-40(42)43)29-19-21-33-31-13-5-7-15-35(31)44(38(33)25-29)36-16-8-6-14-32(36)34-23-27-11-3-4-12-28(27)24-39(34)44/h3-26H,1-2H3
InChIKeyROVVMTZCYUQAKC-UHFFFAOYSA-N
XLogP11.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.72
LogP ≤ 511.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(9,9-diphenylfluoren-2-yl)-9,9-dimethylxanthene
CID 170018311
2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 177127552
2-(9,9-dimethylxanthen-2-yl)-9,9-dimethylxanthene
CID 70935955
2-[2-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-9,9-dimethylxanthene
CID 177127900
9,9-dimethyl-2-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]xanthene
CID 170032976
9,9-dimethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene
CID 177127137
2-(9-methyl-9-phenylfluoren-2-yl)spiro[benzo[b]xanthene-12,9'-fluorene]
CID 170020436
N-(9,9-dimethylfluoren-2-yl)-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 130463618
9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene
CID 170020051
2,2'-bis(1-benzofuran-2-yl)spiro[fluorene-9,9'-xanthene]
CID 59096391
3-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-methyl-9-phenylxanthene
CID 170027969
N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476302

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene?
The IUPAC name of 9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene (CID 170017622) is 9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene.
What is the SMILES notation for 9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene?
The canonical SMILES for 9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene is CC1(C)c2ccccc2Oc2ccc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cc5ccccc5cc43)cc21.
What is the InChIKey of 9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene?
The InChIKey is ROVVMTZCYUQAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30O/c1-43(2)37-17-9-10-18-41(37)45-42-22-20-30(26-40(42)43)29-19-21-33-31-13-5-7-15-35(31)44(38(33)25-29)36-16-8-6-14-32(36)34-23-27-11-3-4-12-28(27)24-39(34)44/h3-26H,1-2H3.
What are the key properties of 9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene?
9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene has a molecular weight of 574.72 g/mol, XLogP of 11.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylxanthene is sourced from PubChem (CID 170017622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).