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

C49H32O — CID 170028512

IUPAC9-methyl-9-phenyl-4-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylxanthene
SMILESCC1(c2ccccc2)c2ccccc2Oc2c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4ccc4ccccc34)cccc21
InChIInChI=1S/C49H32O/c1-48(33-15-3-2-4-16-33)42-23-11-12-25-45(42)50-47-35(20-13-24-43(47)48)32-27-28-38-39-29-26-31-14-5-6-17-34(31)46(39)49(44(38)30-32)40-21-9-7-18-36(40)37-19-8-10-22-41(37)49/h2-30H,1H3
InChIKeyAGERHYOIBBQQOB-UHFFFAOYSA-N
MW636.79 g/mol
LogP12.31
Rot. Bonds2

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

9-methyl-9-phenyl-4-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylxanthene (PubChem CID 170028512) has the molecular formula C49H32O and a molecular weight of 636.79 g/mol. Its IUPAC name is 9-methyl-9-phenyl-4-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylxanthene.

Molecular Properties

Compound Name9-methyl-9-phenyl-4-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylxanthene
PubChem CID170028512
Molecular FormulaC49H32O
Molecular Weight636.79 g/mol
Exact Mass636.25
IUPAC Name9-methyl-9-phenyl-4-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylxanthene
SMILESCC1(c2ccccc2)c2ccccc2Oc2c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4ccc4ccccc34)cccc21
InChIInChI=1S/C49H32O/c1-48(33-15-3-2-4-16-33)42-23-11-12-25-45(42)50-47-35(20-13-24-43(47)48)32-27-28-38-39-29-26-31-14-5-6-17-34(31)46(39)49(44(38)30-32)40-21-9-7-18-36(40)37-19-8-10-22-41(37)49/h2-30H,1H3
InChIKeyAGERHYOIBBQQOB-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-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170019752
9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene
CID 177127125
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
3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177126971
2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene]
CID 170028881
9,9-dimethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene
CID 177127137
2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene]
CID 170021111
5-spiro[benzo[a]fluorene-11,9'-fluorene]-3'-ylspiro[benzo[c]xanthene-7,9'-fluorene]
CID 170020995
5-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170033320
12-spiro[benzo[a]fluorene-11,9'-fluorene]-9-yl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaene
CID 177126719
5-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170025386

Frequently Asked Questions

What is the IUPAC name of 9-methyl-9-phenyl-4-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylxanthene?
The IUPAC name of 9-methyl-9-phenyl-4-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylxanthene (CID 170028512) is 9-methyl-9-phenyl-4-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylxanthene.
What is the SMILES notation for 9-methyl-9-phenyl-4-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylxanthene?
The canonical SMILES for 9-methyl-9-phenyl-4-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylxanthene is CC1(c2ccccc2)c2ccccc2Oc2c(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3c-4ccc4ccccc34)cccc21.
What is the InChIKey of 9-methyl-9-phenyl-4-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylxanthene?
The InChIKey is AGERHYOIBBQQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32O/c1-48(33-15-3-2-4-16-33)42-23-11-12-25-45(42)50-47-35(20-13-24-43(47)48)32-27-28-38-39-29-26-31-14-5-6-17-34(31)46(39)49(44(38)30-32)40-21-9-7-18-36(40)37-19-8-10-22-41(37)49/h2-30H,1H3.
What are the key properties of 9-methyl-9-phenyl-4-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylxanthene?
9-methyl-9-phenyl-4-spiro[benzo[a]fluorene-11,9'-fluorene]-9-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-4-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylxanthene is sourced from PubChem (CID 170028512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).