3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene

C54H36O — CID 177126971

IUPAC3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4c-5ccc5ccccc45)ccc32)cc1
InChIInChI=1S/C54H36O/c1-5-18-40(19-6-1)53(41-20-7-2-8-21-41)47-27-15-16-28-50(47)55-51-36-39(31-34-48(51)53)38-30-32-45-46-33-29-37-17-13-14-26-44(37)52(46)54(49(45)35-38,42-22-9-3-10-23-42)43-24-11-4-12-25-43/h1-36H
InChIKeyXTGLNITYXFCVMF-UHFFFAOYSA-N
MW700.88 g/mol
LogP13.36
Rot. Bonds5

About 3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene

3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene (PubChem CID 177126971) has the molecular formula C54H36O and a molecular weight of 700.88 g/mol. Its IUPAC name is 3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene.

Molecular Properties

Compound Name3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
PubChem CID177126971
Molecular FormulaC54H36O
Molecular Weight700.88 g/mol
Exact Mass700.28
IUPAC Name3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4c-5ccc5ccccc45)ccc32)cc1
InChIInChI=1S/C54H36O/c1-5-18-40(19-6-1)53(41-20-7-2-8-21-41)47-27-15-16-28-50(47)55-51-36-39(31-34-48(51)53)38-30-32-45-46-33-29-37-17-13-14-26-44(37)52(46)54(49(45)35-38,42-22-9-3-10-23-42)43-24-11-4-12-25-43/h1-36H
InChIKeyXTGLNITYXFCVMF-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

1-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 170029352
3-phenanthren-2-yl-9,9-diphenylxanthene
CID 177299046
2,4-diphenyl-6-[3-(3-spiro[benzo[a]fluorene-11,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 166825712
9-methyl-9-phenyl-2-[2-(11-phenylbenzo[a]fluoren-11-yl)phenyl]xanthene
CID 177127125
3-(2-phenanthren-1-ylphenyl)-9,9-diphenylxanthene
CID 177298046
9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
CID 170017292
4-(11-methyl-11-phenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177127667
11-[3-(9,9-diphenylxanthen-3-yl)phenyl]naphtho[2,1-b][1]benzofuran
CID 177299035
2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylspiro[benzo[b]xanthene-12,9'-fluorene]
CID 170021111
3-(11,11-diphenylbenzo[b]fluoren-2-yl)-9-methyl-9-phenylxanthene
CID 170027969
9-methyl-9-phenyl-4-spiro[benzo[a]fluorene-11,9'-fluorene]-9-ylxanthene
CID 170028512
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165

Frequently Asked Questions

What is the IUPAC name of 3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene?
The IUPAC name of 3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene (CID 177126971) is 3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene.
What is the SMILES notation for 3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene?
The canonical SMILES for 3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene is c1ccc(C2(c3ccccc3)c3ccccc3Oc3cc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4c-5ccc5ccccc45)ccc32)cc1.
What is the InChIKey of 3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene?
The InChIKey is XTGLNITYXFCVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36O/c1-5-18-40(19-6-1)53(41-20-7-2-8-21-41)47-27-15-16-28-50(47)55-51-36-39(31-34-48(51)53)38-30-32-45-46-33-29-37-17-13-14-26-44(37)52(46)54(49(45)35-38,42-22-9-3-10-23-42)43-24-11-4-12-25-43/h1-36H.
What are the key properties of 3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene?
3-(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 3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene is sourced from PubChem (CID 177126971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).