9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene

C49H32O — CID 170019752

IUPAC9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
SMILESCC1(c2ccccc2)c2ccccc2Oc2c(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3ccc3ccccc43)cccc21
InChIInChI=1S/C49H32O/c1-48(33-15-3-2-4-16-33)41-23-11-12-25-45(41)50-47-35(20-13-24-43(47)48)32-26-28-37-36-18-7-9-21-39(36)49(44(37)30-32)40-22-10-8-19-38(40)46-34-17-6-5-14-31(34)27-29-42(46)49/h2-30H,1H3
InChIKeyZUQBBQKHUWTQDW-UHFFFAOYSA-N
MW636.79 g/mol
LogP12.31
Rot. Bonds2

About 9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene

9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene (PubChem CID 170019752) 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[c]fluorene-7,9'-fluorene]-2'-ylxanthene.

Molecular Properties

Compound Name9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
PubChem CID170019752
Molecular FormulaC49H32O
Molecular Weight636.79 g/mol
Exact Mass636.25
IUPAC Name9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
SMILESCC1(c2ccccc2)c2ccccc2Oc2c(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3ccc3ccccc43)cccc21
InChIInChI=1S/C49H32O/c1-48(33-15-3-2-4-16-33)41-23-11-12-25-45(41)50-47-35(20-13-24-43(47)48)32-26-28-37-36-18-7-9-21-39(36)49(44(37)30-32)40-22-10-8-19-38(40)46-34-17-6-5-14-31(34)27-29-42(46)49/h2-30H,1H3
InChIKeyZUQBBQKHUWTQDW-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[a]fluorene-11,9'-fluorene]-9-ylxanthene
CID 170028512
2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene]
CID 170028881
9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170017292
2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]
CID 177126728
9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
CID 170029425
4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177127667
9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene
CID 177127125
9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
CID 170023888
9-methyl-9-phenyl-2-spiro[benzo[b]fluorene-11,9'-fluorene]-4'-ylxanthene
CID 170020051
9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
CID 170019693
10-(9-methyl-9-phenylfluoren-3-yl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 170014482
5-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170033320

Frequently Asked Questions

What is the IUPAC name of 9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene?
The IUPAC name of 9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene (CID 170019752) is 9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene.
What is the SMILES notation for 9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene?
The canonical SMILES for 9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene is CC1(c2ccccc2)c2ccccc2Oc2c(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4c3ccc3ccccc43)cccc21.
What is the InChIKey of 9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene?
The InChIKey is ZUQBBQKHUWTQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32O/c1-48(33-15-3-2-4-16-33)41-23-11-12-25-45(41)50-47-35(20-13-24-43(47)48)32-26-28-37-36-18-7-9-21-39(36)49(44(37)30-32)40-22-10-8-19-38(40)46-34-17-6-5-14-31(34)27-29-42(46)49/h2-30H,1H3.
What are the key properties of 9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene?
9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-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[c]fluorene-7,9'-fluorene]-2'-ylxanthene is sourced from PubChem (CID 170019752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).