9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene

C49H34O — CID 177127125

IUPAC9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene
SMILESCC1(c2ccccc2)c2ccccc2Oc2ccc(-c3ccccc3C3(c4ccccc4)c4ccccc4-c4ccc5ccccc5c43)cc21
InChIInChI=1S/C49H34O/c1-48(35-17-4-2-5-18-35)43-26-14-15-27-45(43)50-46-31-29-34(32-44(46)48)37-21-10-12-24-41(37)49(36-19-6-3-7-20-36)42-25-13-11-23-39(42)40-30-28-33-16-8-9-22-38(33)47(40)49/h2-32H,1H3
InChIKeyAFEASCZPXYOBAX-UHFFFAOYSA-N
MW638.81 g/mol
LogP12.33
Rot. Bonds4

About 9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene

9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene (PubChem CID 177127125) has the molecular formula C49H34O and a molecular weight of 638.81 g/mol. Its IUPAC name is 9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene.

Molecular Properties

Compound Name9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene
PubChem CID177127125
Molecular FormulaC49H34O
Molecular Weight638.81 g/mol
Exact Mass638.26
IUPAC Name9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene
SMILESCC1(c2ccccc2)c2ccccc2Oc2ccc(-c3ccccc3C3(c4ccccc4)c4ccccc4-c4ccc5ccccc5c43)cc21
InChIInChI=1S/C49H34O/c1-48(35-17-4-2-5-18-35)43-26-14-15-27-45(43)50-46-31-29-34(32-44(46)48)37-21-10-12-24-41(37)49(36-19-6-3-7-20-36)42-25-13-11-23-39(42)40-30-28-33-16-8-9-22-38(33)47(40)49/h2-32H,1H3
InChIKeyAFEASCZPXYOBAX-UHFFFAOYSA-N
XLogP12.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 512.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-methyl-9-phenyl-4-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylxanthene
CID 170028512
4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177127667
1-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 170029352
9,9-dimethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene
CID 177127137
2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene]
CID 170028881
2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 170032385
9-methyl-2-(9-methyl-9-phenylfluoren-1-yl)-9-phenylxanthene
CID 170020847
3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177126971
9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
CID 170019693
2'-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-4-ylspiro[fluorene-9,9'-xanthene]
CID 170037298
9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170019752
9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene
CID 170020209

Frequently Asked Questions

What is the IUPAC name of 9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene?
The IUPAC name of 9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene (CID 177127125) is 9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene.
What is the SMILES notation for 9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene?
The canonical SMILES for 9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene is CC1(c2ccccc2)c2ccccc2Oc2ccc(-c3ccccc3C3(c4ccccc4)c4ccccc4-c4ccc5ccccc5c43)cc21.
What is the InChIKey of 9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene?
The InChIKey is AFEASCZPXYOBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34O/c1-48(35-17-4-2-5-18-35)43-26-14-15-27-45(43)50-46-31-29-34(32-44(46)48)37-21-10-12-24-41(37)49(36-19-6-3-7-20-36)42-25-13-11-23-39(42)40-30-28-33-16-8-9-22-38(33)47(40)49/h2-32H,1H3.
What are the key properties of 9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene?
9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene has a molecular weight of 638.81 g/mol, XLogP of 12.33, 4 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-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene is sourced from PubChem (CID 177127125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).