2',3'-difluoro-7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,9'-fluorene]

C46H34F2 — CID 164819176

IUPAC2',3'-difluoro-7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,9'-fluorene]
SMILESFc1cc2c(cc1F)C1(c3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)ccc3-2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C46H34F2/c47-42-24-39-34-16-15-31(23-40(34)46(41(39)25-43(42)48)32-18-26-17-27(20-32)21-33(46)19-26)45-37-11-5-3-9-35(37)44(36-10-4-6-12-38(36)45)30-14-13-28-7-1-2-8-29(28)22-30/h1-16,22-27,32-33H,17-21H2
InChIKeyXNKPSYBAQLPOGY-UHFFFAOYSA-N
MW624.77 g/mol
LogP12.48
Rot. Bonds2

About 2',3'-difluoro-7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,9'-fluorene]

2',3'-difluoro-7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,9'-fluorene] (PubChem CID 164819176) has the molecular formula C46H34F2 and a molecular weight of 624.77 g/mol. Its IUPAC name is 2',3'-difluoro-7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,9'-fluorene].

Molecular Properties

Compound Name2',3'-difluoro-7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,9'-fluorene]
PubChem CID164819176
Molecular FormulaC46H34F2
Molecular Weight624.77 g/mol
Exact Mass624.26
IUPAC Name2',3'-difluoro-7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,9'-fluorene]
SMILESFc1cc2c(cc1F)C1(c3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)ccc3-2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C46H34F2/c47-42-24-39-34-16-15-31(23-40(34)46(41(39)25-43(42)48)32-18-26-17-27(20-32)21-33(46)19-26)45-37-11-5-3-9-35(37)44(36-10-4-6-12-38(36)45)30-14-13-28-7-1-2-8-29(28)22-30/h1-16,22-27,32-33H,17-21H2
InChIKeyXNKPSYBAQLPOGY-UHFFFAOYSA-N
XLogP12.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.77
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

methane;2'-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]spiro[adamantane-2,9'-fluorene];2'-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]spiro[adamantane-2,9'-fluorene]
CID 164976528
2'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[b]fluorene]
CID 168808985
8'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168808727
8'-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]
CID 168808966
8'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168808718
trimethyl-[4-[3-[10-(6-spiro[adamantane-2,9'-fluorene]-2'-ylnaphthalen-2-yl)anthracen-9-yl]phenyl]phenyl]silane
CID 164819102
6'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,11'-benzo[a]fluorene]
CID 168809005
2,4-diphenyl-6-(10-spiro[adamantane-2,9'-fluorene]-2'-ylanthracen-9-yl)-1,3,5-triazine
CID 164819330
N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)aniline
CID 155399537
4-[4-[10-[6-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)naphthalen-2-yl]anthracen-9-yl]phenyl]dibenzothiophene
CID 164819318
2-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-ylanthracen-9-yl)dibenzofuran
CID 168808964
3-(10-spiro[adamantane-2,7'-benzo[g]fluorene]-9'-ylanthracen-9-yl)dibenzofuran
CID 168808914

Frequently Asked Questions

What is the IUPAC name of 2',3'-difluoro-7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,9'-fluorene]?
The IUPAC name of 2',3'-difluoro-7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,9'-fluorene] (CID 164819176) is 2',3'-difluoro-7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,9'-fluorene].
What is the SMILES notation for 2',3'-difluoro-7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,9'-fluorene]?
The canonical SMILES for 2',3'-difluoro-7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,9'-fluorene] is Fc1cc2c(cc1F)C1(c3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)ccc3-2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2',3'-difluoro-7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,9'-fluorene]?
The InChIKey is XNKPSYBAQLPOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34F2/c47-42-24-39-34-16-15-31(23-40(34)46(41(39)25-43(42)48)32-18-26-17-27(20-32)21-33(46)19-26)45-37-11-5-3-9-35(37)44(36-10-4-6-12-38(36)45)30-14-13-28-7-1-2-8-29(28)22-30/h1-16,22-27,32-33H,17-21H2.
What are the key properties of 2',3'-difluoro-7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,9'-fluorene]?
2',3'-difluoro-7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,9'-fluorene] has a molecular weight of 624.77 g/mol, XLogP of 12.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2',3'-difluoro-7'-(10-naphthalen-2-ylanthracen-9-yl)spiro[adamantane-2,9'-fluorene] is sourced from PubChem (CID 164819176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).