9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene

C49H34O — CID 170023888

IUPAC9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
SMILESCC1(c2ccccc2)c2ccccc2Oc2cccc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5c4ccc4ccccc54)c3)c21
InChIInChI=1S/C49H34O/c1-48(35-18-4-2-5-19-35)42-27-12-13-28-44(42)50-45-29-15-25-39(47(45)48)34-17-14-22-37(32-34)49(36-20-6-3-7-21-36)41-26-11-10-24-40(41)46-38-23-9-8-16-33(38)30-31-43(46)49/h2-32H,1H3
InChIKeyMGPFROMVHZKXHS-UHFFFAOYSA-N
MW638.81 g/mol
LogP12.33
Rot. Bonds4

About 9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene

9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene (PubChem CID 170023888) has the molecular formula C49H34O and a molecular weight of 638.81 g/mol. Its IUPAC name is 9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene.

Molecular Properties

Compound Name9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
PubChem CID170023888
Molecular FormulaC49H34O
Molecular Weight638.81 g/mol
Exact Mass638.26
IUPAC Name9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
SMILESCC1(c2ccccc2)c2ccccc2Oc2cccc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5c4ccc4ccccc54)c3)c21
InChIInChI=1S/C49H34O/c1-48(35-18-4-2-5-19-35)42-27-12-13-28-44(42)50-45-29-15-25-39(47(45)48)34-17-14-22-37(32-34)49(36-20-6-3-7-21-36)41-26-11-10-24-40(41)46-38-23-9-8-16-33(38)30-31-43(46)49/h2-32H,1H3
InChIKeyMGPFROMVHZKXHS-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

Analyze 9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]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

9,9-dimethyl-4-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
CID 170029425
9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170017292
9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170019752
2'-[3-(8-methyl-7-phenylbenzo[c]fluoren-7-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 170023891
2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene]
CID 170028881
9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene
CID 177127125
9-phenyl-9-[3-[10-phenyl-8-[3-(9-phenylxanthen-9-yl)phenyl]anthracen-1-yl]phenyl]xanthene
CID 155333539
16-[3-(9-phenylfluoren-9-yl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 170021978
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]-4'-yl)xanthene
CID 170019693
4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177127667
3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene
CID 177298046

Frequently Asked Questions

What is the IUPAC name of 9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene?
The IUPAC name of 9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene (CID 170023888) is 9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene.
What is the SMILES notation for 9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene?
The canonical SMILES for 9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene is CC1(c2ccccc2)c2ccccc2Oc2cccc(-c3cccc(C4(c5ccccc5)c5ccccc5-c5c4ccc4ccccc54)c3)c21.
What is the InChIKey of 9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene?
The InChIKey is MGPFROMVHZKXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34O/c1-48(35-18-4-2-5-19-35)42-27-12-13-28-44(42)50-45-29-15-25-39(47(45)48)34-17-14-22-37(32-34)49(36-20-6-3-7-21-36)41-26-11-10-24-40(41)46-38-23-9-8-16-33(38)30-31-43(46)49/h2-32H,1H3.
What are the key properties of 9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene?
9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-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-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene is sourced from PubChem (CID 170023888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).