1-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene

C54H36O — CID 170029352

IUPAC1-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4c-5ccc5ccccc45)c32)cc1
InChIInChI=1S/C54H36O/c1-5-19-39(20-6-1)53(40-21-7-2-8-22-40)47-29-15-16-30-49(47)55-50-31-17-28-44(52(50)53)38-33-34-45-46-35-32-37-18-13-14-27-43(37)51(46)54(48(45)36-38,41-23-9-3-10-24-41)42-25-11-4-12-26-42/h1-36H
InChIKeyUBFSNEXVINVSRM-UHFFFAOYSA-N
MW700.88 g/mol
LogP13.36
Rot. Bonds5

About 1-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene

1-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene (PubChem CID 170029352) has the molecular formula C54H36O and a molecular weight of 700.88 g/mol. Its IUPAC name is 1-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene.

Molecular Properties

Compound Name1-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
PubChem CID170029352
Molecular FormulaC54H36O
Molecular Weight700.88 g/mol
Exact Mass700.28
IUPAC Name1-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4c-5ccc5ccccc45)c32)cc1
InChIInChI=1S/C54H36O/c1-5-19-39(20-6-1)53(40-21-7-2-8-22-40)47-29-15-16-30-49(47)55-50-31-17-28-44(52(50)53)38-33-34-45-46-35-32-37-18-13-14-27-43(37)51(46)54(48(45)36-38,41-23-9-3-10-24-41)42-25-11-4-12-26-42/h1-36H
InChIKeyUBFSNEXVINVSRM-UHFFFAOYSA-N
XLogP13.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.88
LogP ≤ 513.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177126971
9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170017292
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
9-methyl-9-phenyl-4-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylxanthene
CID 170028512
2'-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-4-ylspiro[fluorene-9,9'-xanthene]
CID 170037298
9,9-dimethyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene
CID 177127137
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
2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene]
CID 170021111
2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]
CID 177126728
3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene
CID 177298046
1'-[2-(11-phenylbenzo[b]fluoren-11-yl)phenyl]spiro[fluorene-9,9'-xanthene]
CID 170023741

Frequently Asked Questions

What is the IUPAC name of 1-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene?
The IUPAC name of 1-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene (CID 170029352) is 1-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene.
What is the SMILES notation for 1-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene?
The canonical SMILES for 1-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene is c1ccc(C2(c3ccccc3)c3ccccc3Oc3cccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4c-5ccc5ccccc45)c32)cc1.
What is the InChIKey of 1-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene?
The InChIKey is UBFSNEXVINVSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36O/c1-5-19-39(20-6-1)53(40-21-7-2-8-22-40)47-29-15-16-30-49(47)55-50-31-17-28-44(52(50)53)38-33-34-45-46-35-32-37-18-13-14-27-43(37)51(46)54(48(45)36-38,41-23-9-3-10-24-41)42-25-11-4-12-26-42/h1-36H.
What are the key properties of 1-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene?
1-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene has a molecular weight of 700.88 g/mol, XLogP of 13.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene is sourced from PubChem (CID 170029352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).