4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene

C49H34O — CID 177127667

IUPAC4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
SMILESCC1(c2ccccc2)c2cc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C49H34O/c1-48(35-17-5-2-6-18-35)44-32-34(29-30-40(44)41-31-28-33-16-11-12-23-38(33)46(41)48)39-24-15-26-43-47(39)50-45-27-14-13-25-42(45)49(43,36-19-7-3-8-20-36)37-21-9-4-10-22-37/h2-32H,1H3
InChIKeyDLXNPZBTEXDCTC-UHFFFAOYSA-N
MW638.81 g/mol
LogP12.33
Rot. Bonds4

About 4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene

4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene (PubChem CID 177127667) has the molecular formula C49H34O and a molecular weight of 638.81 g/mol. Its IUPAC name is 4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene.

Molecular Properties

Compound Name4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
PubChem CID177127667
Molecular FormulaC49H34O
Molecular Weight638.81 g/mol
Exact Mass638.26
IUPAC Name4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
SMILESCC1(c2ccccc2)c2cc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)ccc2-c2ccc3ccccc3c21
InChIInChI=1S/C49H34O/c1-48(35-17-5-2-6-18-35)44-32-34(29-30-40(44)41-31-28-33-16-11-12-23-38(33)46(41)48)39-24-15-26-43-47(39)50-45-27-14-13-25-42(45)49(43,36-19-7-3-8-20-36)37-21-9-4-10-22-37/h2-32H,1H3
InChIKeyDLXNPZBTEXDCTC-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 4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene 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[a]fluorene-11,9'-fluorene]-9-ylxanthene
CID 170028512
9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene
CID 177127125
9-methyl-9-phenyl-4-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170019752
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
3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177126971
1-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 170029352
2'-(7-methyl-7-phenylbenzo[g]fluoren-9-yl)spiro[fluorene-9,9'-xanthene]
CID 170028881
9-[2-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170023018
4-(9,9-dimethylfluoren-3-yl)-9,9-diphenylxanthene
CID 170018659
9-(11,11-diphenylbenzo[b]fluoren-2-yl)spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170027656
5-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[benzo[c]xanthene-7,9'-fluorene]
CID 170033320
2'-[2-(9-methyl-9-phenylfluoren-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 170032385

Frequently Asked Questions

What is the IUPAC name of 4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene?
The IUPAC name of 4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene (CID 177127667) is 4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene.
What is the SMILES notation for 4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene?
The canonical SMILES for 4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene is CC1(c2ccccc2)c2cc(-c3cccc4c3Oc3ccccc3C4(c3ccccc3)c3ccccc3)ccc2-c2ccc3ccccc3c21.
What is the InChIKey of 4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene?
The InChIKey is DLXNPZBTEXDCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34O/c1-48(35-17-5-2-6-18-35)44-32-34(29-30-40(44)41-31-28-33-16-11-12-23-38(33)46(41)48)39-24-15-26-43-47(39)50-45-27-14-13-25-42(45)49(43,36-19-7-3-8-20-36)37-21-9-4-10-22-37/h2-32H,1H3.
What are the key properties of 4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene?
4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene 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 4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene is sourced from PubChem (CID 177127667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).