2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene]

C49H32O — CID 170028881

IUPAC2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene]
SMILESCC1(c2ccccc2)c2cc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C49H32O/c1-48(34-14-3-2-4-15-34)42-27-24-31-13-5-6-16-35(31)47(42)38-26-23-32(29-43(38)48)33-25-28-46-44(30-33)49(41-21-11-12-22-45(41)50-46)39-19-9-7-17-36(39)37-18-8-10-20-40(37)49/h2-30H,1H3
InChIKeyFPSWEWWTDHROBU-UHFFFAOYSA-N
MW636.79 g/mol
LogP12.31
Rot. Bonds2

About 2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene]

2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene] (PubChem CID 170028881) has the molecular formula C49H32O and a molecular weight of 636.79 g/mol. Its IUPAC name is 2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene]
PubChem CID170028881
Molecular FormulaC49H32O
Molecular Weight636.79 g/mol
Exact Mass636.25
IUPAC Name2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene]
SMILESCC1(c2ccccc2)c2cc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)ccc2-c2c1ccc1ccccc21
InChIInChI=1S/C49H32O/c1-48(34-14-3-2-4-15-34)42-27-24-31-13-5-6-16-35(31)47(42)38-26-23-32(29-43(38)48)33-25-28-46-44(30-33)49(41-21-11-12-22-45(41)50-46)39-19-9-7-17-36(39)37-18-8-10-20-40(37)49/h2-30H,1H3
InChIKeyFPSWEWWTDHROBU-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

Analyze 2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170019752
2'-(11-methyl-11-phenylbenzo[b]fluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 177127552
2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 170032385
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
9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170017292
2'-[3-(8-methyl-7-phenylbenzo[c]fluoren-7-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 170023891
2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]
CID 177126728
9-methyl-9-phenyl-2-(9,9'-spirobi[fluorene]-3-yl)xanthene
CID 170020209
4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177127667
2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165

Frequently Asked Questions

What is the IUPAC name of 2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene] (CID 170028881) is 2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene] is CC1(c2ccccc2)c2cc(-c3ccc4c(c3)C3(c5ccccc5O4)c4ccccc4-c4ccccc43)ccc2-c2c1ccc1ccccc21.
What is the InChIKey of 2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene]?
The InChIKey is FPSWEWWTDHROBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32O/c1-48(34-14-3-2-4-15-34)42-27-24-31-13-5-6-16-35(31)47(42)38-26-23-32(29-43(38)48)33-25-28-46-44(30-33)49(41-21-11-12-22-45(41)50-46)39-19-9-7-17-36(39)37-18-8-10-20-40(37)49/h2-30H,1H3.
What are the key properties of 2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene]?
2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene] 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 2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 170028881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).