9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene

C54H34O — CID 170017292

IUPAC9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5c4ccc4ccccc54)c32)cc1
InChIInChI=1S/C54H34O/c1-3-17-37(18-4-1)53(38-19-5-2-6-20-38)46-27-13-14-28-49(46)55-50-29-15-24-40(52(50)53)36-30-32-42-41-22-9-11-25-44(41)54(48(42)34-36)45-26-12-10-23-43(45)51-39-21-8-7-16-35(39)31-33-47(51)54/h1-34H
InChIKeyNSBIGRQUOKLRPU-UHFFFAOYSA-N
MW698.87 g/mol
LogP13.34
Rot. Bonds3

About 9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene

9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene (PubChem CID 170017292) has the molecular formula C54H34O and a molecular weight of 698.87 g/mol. Its IUPAC name is 9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene.

Molecular Properties

Compound Name9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
PubChem CID170017292
Molecular FormulaC54H34O
Molecular Weight698.87 g/mol
Exact Mass698.26
IUPAC Name9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3cccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5c4ccc4ccccc54)c32)cc1
InChIInChI=1S/C54H34O/c1-3-17-37(18-4-1)53(38-19-5-2-6-20-38)46-27-13-14-28-49(46)55-50-29-15-24-40(52(50)53)36-30-32-42-41-22-9-11-25-44(41)54(48(42)34-36)45-26-12-10-23-43(45)51-39-21-8-7-16-35(39)31-33-47(51)54/h1-34H
InChIKeyNSBIGRQUOKLRPU-UHFFFAOYSA-N
XLogP13.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500698.87
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylspiro[fluorene-9,9'-xanthene]
CID 177126728
1-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 170029352
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
N-[4-(4-phenylphenyl)phenyl]-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[benzo[g]fluorene-7,9'-xanthene]-9-amine
CID 138476405
9-methyl-9-phenyl-1-[3-(7-phenylbenzo[c]fluoren-7-yl)phenyl]xanthene
CID 170023888
3-(11,11-diphenylbenzo[a]fluoren-9-yl)-9,9-diphenylxanthene
CID 177126971
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-diphenyl-2-(9,9'-spirobi[fluorene]-4'-yl)xanthene
CID 170017230
2'-(9,9-diphenylfluoren-4-yl)spiro[fluorene-9,9'-xanthene]
CID 170018800
9,9-diphenyl-2-spiro[benzo[a]phenalene-7,9'-fluorene]-4'-ylxanthene
CID 170018464

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene?
The IUPAC name of 9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene (CID 170017292) is 9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene.
What is the SMILES notation for 9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene?
The canonical SMILES for 9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene is c1ccc(C2(c3ccccc3)c3ccccc3Oc3cccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5c4ccc4ccccc54)c32)cc1.
What is the InChIKey of 9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene?
The InChIKey is NSBIGRQUOKLRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34O/c1-3-17-37(18-4-1)53(38-19-5-2-6-20-38)46-27-13-14-28-49(46)55-50-29-15-24-40(52(50)53)36-30-32-42-41-22-9-11-25-44(41)54(48(42)34-36)45-26-12-10-23-43(45)51-39-21-8-7-16-35(39)31-33-47(51)54/h1-34H.
What are the key properties of 9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene?
9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene has a molecular weight of 698.87 g/mol, XLogP of 13.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenyl-1-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylxanthene is sourced from PubChem (CID 170017292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).