9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene

C49H32O — CID 170020051

IUPAC9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene
SMILESCC1(c2ccccc2)c2ccccc2Oc2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4cc5ccccc5cc43)cc21
InChIInChI=1S/C49H32O/c1-48(34-16-3-2-4-17-34)41-23-11-12-25-45(41)50-46-27-26-33(30-44(46)48)35-20-13-24-42-47(35)37-19-8-10-22-40(37)49(42)39-21-9-7-18-36(39)38-28-31-14-5-6-15-32(31)29-43(38)49/h2-30H,1H3
InChIKeyWFZTYPJVRZDUNM-UHFFFAOYSA-N
MW636.79 g/mol
LogP12.31
Rot. Bonds2

About 9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene

9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene (PubChem CID 170020051) has the molecular formula C49H32O and a molecular weight of 636.79 g/mol. Its IUPAC name is 9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene.

Molecular Properties

Compound Name9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene
PubChem CID170020051
Molecular FormulaC49H32O
Molecular Weight636.79 g/mol
Exact Mass636.25
IUPAC Name9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene
SMILESCC1(c2ccccc2)c2ccccc2Oc2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4cc5ccccc5cc43)cc21
InChIInChI=1S/C49H32O/c1-48(34-16-3-2-4-17-34)41-23-11-12-25-45(41)50-46-27-26-33(30-44(46)48)35-20-13-24-42-47(35)37-19-8-10-22-40(37)49(42)39-21-9-7-18-36(39)38-28-31-14-5-6-15-32(31)29-43(38)49/h2-30H,1H3
InChIKeyWFZTYPJVRZDUNM-UHFFFAOYSA-N
XLogP12.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.79
LogP ≤ 512.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
CID 170019693
2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 177127552
9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene
CID 170020209
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
CID 170017230
2'-(9,9-diphenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]
CID 170018800
3-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-methyl-9-phenylxanthene
CID 170027969
9,9-diphenyl-2-spiro[benzo[a]phenalene-7,9'-fluorene]-4'-ylxanthene
CID 170018464
9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170019752
2-(9-methyl-9-phenylfluoren-2-yl)spiro[benzo[b]xanthene-12,9'-fluorene]
CID 170020436
9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene
CID 177127125
9-methyl-2-(9-methyl-9-phenylfluoren-1-yl)-9-phenylxanthene
CID 170020847
2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 170032385

Frequently Asked Questions

What is the IUPAC name of 9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene?
The IUPAC name of 9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene (CID 170020051) is 9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene.
What is the SMILES notation for 9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene?
The canonical SMILES for 9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene is CC1(c2ccccc2)c2ccccc2Oc2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4cc5ccccc5cc43)cc21.
What is the InChIKey of 9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene?
The InChIKey is WFZTYPJVRZDUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32O/c1-48(34-16-3-2-4-17-34)41-23-11-12-25-45(41)50-46-27-26-33(30-44(46)48)35-20-13-24-42-47(35)37-19-8-10-22-40(37)49(42)39-21-9-7-18-36(39)38-28-31-14-5-6-15-32(31)29-43(38)49/h2-30H,1H3.
What are the key properties of 9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene?
9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene has a molecular weight of 636.79 g/mol, XLogP of 12.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene is sourced from PubChem (CID 170020051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).