ethane;2-fluoro-10-(4-naphthalen-1-ylphenyl)-10'-(4-phenylphenyl)-9,9'-spirobi[acridine]

C57H47FN2 — CID 176670475

IUPACethane;2-fluoro-10-(4-naphthalen-1-ylphenyl)-10'-(4-phenylphenyl)-9,9'-spirobi[acridine]
SMILESCC.CC.Fc1ccc2c(c1)C1(c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccccc31)c1ccccc1N2c1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C53H35FN2.2C2H6/c54-40-29-34-52-48(35-40)53(47-21-8-11-24-51(47)56(52)42-32-27-39(28-33-42)44-18-12-16-38-15-4-5-17-43(38)44)45-19-6-9-22-49(45)55(50-23-10-7-20-46(50)53)41-30-25-37(26-31-41)36-13-2-1-3-14-36;2*1-2/h1-35H;2*1-2H3
InChIKeyQJNPGJONICEXBK-UHFFFAOYSA-N
MW779.01 g/mol
LogP16.31
Rot. Bonds4

About ethane;2-fluoro-10-(4-naphthalen-1-ylphenyl)-10'-(4-phenylphenyl)-9,9'-spirobi[acridine]

ethane;2-fluoro-10-(4-naphthalen-1-ylphenyl)-10'-(4-phenylphenyl)-9,9'-spirobi[acridine] (PubChem CID 176670475) has the molecular formula C57H47FN2 and a molecular weight of 779.01 g/mol. Its IUPAC name is ethane;2-fluoro-10-(4-naphthalen-1-ylphenyl)-10'-(4-phenylphenyl)-9,9'-spirobi[acridine].

Molecular Properties

Compound Nameethane;2-fluoro-10-(4-naphthalen-1-ylphenyl)-10'-(4-phenylphenyl)-9,9'-spirobi[acridine]
PubChem CID176670475
Molecular FormulaC57H47FN2
Molecular Weight779.01 g/mol
Exact Mass778.37
IUPAC Nameethane;2-fluoro-10-(4-naphthalen-1-ylphenyl)-10'-(4-phenylphenyl)-9,9'-spirobi[acridine]
SMILESCC.CC.Fc1ccc2c(c1)C1(c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccccc31)c1ccccc1N2c1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C53H35FN2.2C2H6/c54-40-29-34-52-48(35-40)53(47-21-8-11-24-51(47)56(52)42-32-27-39(28-33-42)44-18-12-16-38-15-4-5-17-43(38)44)45-19-6-9-22-49(45)55(50-23-10-7-20-46(50)53)41-30-25-37(26-31-41)36-13-2-1-3-14-36;2*1-2/h1-35H;2*1-2H3
InChIKeyQJNPGJONICEXBK-UHFFFAOYSA-N
XLogP16.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500779.01
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2'-fluoro-10,10'-bis(4-phenylphenyl)-2-(trifluoromethyl)-9,9'-spirobi[acridine]
CID 176670484
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104
10,10'-bis(4-dibenzothiophen-1-ylphenyl)-2-phenyl-9,9'-spirobi[acridine]
CID 118465174
10,10'-bis(4-dibenzothiophen-4-ylphenyl)-2,2'-diphenyl-9,9'-spirobi[acridine]
CID 118465119
10'-(4-dibenzothiophen-4-ylphenyl)-2-methyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 176670463
4'-naphthalen-1-yl-10-phenyl-2'-(4-phenylphenyl)spiro[acridine-9,5'-indeno[1,2-d]pyrimidine]
CID 118372572
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 155240509
10'-[3-methyl-4-(2-methylphenyl)phenyl]-2,2'-diphenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465139
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 146495790
2-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 158956061
N-(4-naphthalen-1-ylphenyl)-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine;N-naphthalen-1-yl-10-phenyl-N-[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine;10-phenyl-N-[2-(4-phenylphenyl)phenyl]-N-triphenylen-2-ylspiro[acridine-9,9'-fluorene]-2'-amine
CID 159280881
10'-[3-(4-tert-butylphenyl)phenyl]-2'-phenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 171799183

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-10-(4-naphthalen-1-ylphenyl)-10'-(4-phenylphenyl)-9,9'-spirobi[acridine]?
The IUPAC name of ethane;2-fluoro-10-(4-naphthalen-1-ylphenyl)-10'-(4-phenylphenyl)-9,9'-spirobi[acridine] (CID 176670475) is ethane;2-fluoro-10-(4-naphthalen-1-ylphenyl)-10'-(4-phenylphenyl)-9,9'-spirobi[acridine].
What is the SMILES notation for ethane;2-fluoro-10-(4-naphthalen-1-ylphenyl)-10'-(4-phenylphenyl)-9,9'-spirobi[acridine]?
The canonical SMILES for ethane;2-fluoro-10-(4-naphthalen-1-ylphenyl)-10'-(4-phenylphenyl)-9,9'-spirobi[acridine] is CC.CC.Fc1ccc2c(c1)C1(c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccccc31)c1ccccc1N2c1ccc(-c2cccc3ccccc23)cc1.
What is the InChIKey of ethane;2-fluoro-10-(4-naphthalen-1-ylphenyl)-10'-(4-phenylphenyl)-9,9'-spirobi[acridine]?
The InChIKey is QJNPGJONICEXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H35FN2.2C2H6/c54-40-29-34-52-48(35-40)53(47-21-8-11-24-51(47)56(52)42-32-27-39(28-33-42)44-18-12-16-38-15-4-5-17-43(38)44)45-19-6-9-22-49(45)55(50-23-10-7-20-46(50)53)41-30-25-37(26-31-41)36-13-2-1-3-14-36;2*1-2/h1-35H;2*1-2H3.
What are the key properties of ethane;2-fluoro-10-(4-naphthalen-1-ylphenyl)-10'-(4-phenylphenyl)-9,9'-spirobi[acridine]?
ethane;2-fluoro-10-(4-naphthalen-1-ylphenyl)-10'-(4-phenylphenyl)-9,9'-spirobi[acridine] has a molecular weight of 779.01 g/mol, XLogP of 16.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-10-(4-naphthalen-1-ylphenyl)-10'-(4-phenylphenyl)-9,9'-spirobi[acridine] is sourced from PubChem (CID 176670475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).