9,9-diphenyl-2-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)xanthene

C53H42O — CID 170031956

IUPAC9,9-diphenyl-2-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)xanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3ccc(-c4ccc(-c5cccc6c5-c5ccccc5C65C6CC7CC(C6)CC5C7)cc4)cc32)cc1
InChIInChI=1S/C53H42O/c1-3-12-39(13-4-1)52(40-14-5-2-6-15-40)46-19-9-10-21-49(46)54-50-27-26-38(33-48(50)52)36-22-24-37(25-23-36)43-17-11-20-47-51(43)44-16-7-8-18-45(44)53(47)41-29-34-28-35(31-41)32-42(53)30-34/h1-27,33-35,41-42H,28-32H2
InChIKeyCICGJQJFRJWWEP-UHFFFAOYSA-N
MW694.92 g/mol
LogP13.23
Rot. Bonds4

About 9,9-diphenyl-2-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)xanthene

9,9-diphenyl-2-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)xanthene (PubChem CID 170031956) has the molecular formula C53H42O and a molecular weight of 694.92 g/mol. Its IUPAC name is 9,9-diphenyl-2-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)xanthene.

Molecular Properties

Compound Name9,9-diphenyl-2-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)xanthene
PubChem CID170031956
Molecular FormulaC53H42O
Molecular Weight694.92 g/mol
Exact Mass694.32
IUPAC Name9,9-diphenyl-2-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)xanthene
SMILESc1ccc(C2(c3ccccc3)c3ccccc3Oc3ccc(-c4ccc(-c5cccc6c5-c5ccccc5C65C6CC7CC(C6)CC5C7)cc4)cc32)cc1
InChIInChI=1S/C53H42O/c1-3-12-39(13-4-1)52(40-14-5-2-6-15-40)46-19-9-10-21-49(46)54-50-27-26-38(33-48(50)52)36-22-24-37(25-23-36)43-17-11-20-47-51(43)44-16-7-8-18-45(44)53(47)41-29-34-28-35(31-41)32-42(53)30-34/h1-27,33-35,41-42H,28-32H2
InChIKeyCICGJQJFRJWWEP-UHFFFAOYSA-N
XLogP13.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.92
LogP ≤ 513.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
2'-(9,9-diphenylfluoren-2-yl)spiro[fluorene-9,9'-xanthene]
CID 170018367
9,9-diphenyl-2-(9,9'-spirobi[fluorene]-2-yl)xanthene
CID 170017165
9,9-diphenyl-2-spiro[benzo[a]phenalene-7,9'-fluorene]-4'-ylxanthene
CID 170018464
N-[4-(3-deuteriophenyl)phenyl]-4-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)phenyl]aniline
CID 157230835
4-(3-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 170031170
3-methyl-2'-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[3,4-dihydroxanthene-9,9'-fluorene]
CID 170036290
2-[3-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-3'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[7'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-4'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[6'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[adamantane-2,9'-fluorene]-2'-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 164969449
2,4-bis(4-phenylphenyl)-6-(3-phenyl-5-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
CID 156561456
2-phenyl-4-(4-phenylphenyl)-6-spiro[adamantane-2,9'-xanthene]-2'-yl-1,3,5-triazine
CID 166017775
2'-chloro-4'-phenylspiro[adamantane-2,9'-fluorene]
CID 168798512

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-2-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)xanthene?
The IUPAC name of 9,9-diphenyl-2-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)xanthene (CID 170031956) is 9,9-diphenyl-2-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)xanthene.
What is the SMILES notation for 9,9-diphenyl-2-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)xanthene?
The canonical SMILES for 9,9-diphenyl-2-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)xanthene is c1ccc(C2(c3ccccc3)c3ccccc3Oc3ccc(-c4ccc(-c5cccc6c5-c5ccccc5C65C6CC7CC(C6)CC5C7)cc4)cc32)cc1.
What is the InChIKey of 9,9-diphenyl-2-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)xanthene?
The InChIKey is CICGJQJFRJWWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H42O/c1-3-12-39(13-4-1)52(40-14-5-2-6-15-40)46-19-9-10-21-49(46)54-50-27-26-38(33-48(50)52)36-22-24-37(25-23-36)43-17-11-20-47-51(43)44-16-7-8-18-45(44)53(47)41-29-34-28-35(31-41)32-42(53)30-34/h1-27,33-35,41-42H,28-32H2.
What are the key properties of 9,9-diphenyl-2-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)xanthene?
9,9-diphenyl-2-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)xanthene has a molecular weight of 694.92 g/mol, XLogP of 13.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenyl-2-(4-spiro[adamantane-2,9'-fluorene]-4'-ylphenyl)xanthene is sourced from PubChem (CID 170031956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).