10'-(3-phenylphenyl)-10-(4-phenylphenyl)-2'-(trifluoromethyl)-9,9'-spirobi[acridine]

C50H33F3N2 — CID 176670445

IUPAC10'-(3-phenylphenyl)-10-(4-phenylphenyl)-2'-(trifluoromethyl)-9,9'-spirobi[acridine]
SMILESFC(F)(F)c1ccc2c(c1)C1(c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccccc31)c1ccccc1N2c1cccc(-c2ccccc2)c1
InChIInChI=1S/C50H33F3N2/c51-50(52,53)38-28-31-48-44(33-38)49(43-22-9-12-25-47(43)55(48)40-19-13-18-37(32-40)35-16-5-2-6-17-35)41-20-7-10-23-45(41)54(46-24-11-8-21-42(46)49)39-29-26-36(27-30-39)34-14-3-1-4-15-34/h1-33H
InChIKeyJZQVQZCIACZBQK-UHFFFAOYSA-N
MW718.82 g/mol
LogP13.99
Rot. Bonds4

About 10'-(3-phenylphenyl)-10-(4-phenylphenyl)-2'-(trifluoromethyl)-9,9'-spirobi[acridine]

10'-(3-phenylphenyl)-10-(4-phenylphenyl)-2'-(trifluoromethyl)-9,9'-spirobi[acridine] (PubChem CID 176670445) has the molecular formula C50H33F3N2 and a molecular weight of 718.82 g/mol. Its IUPAC name is 10'-(3-phenylphenyl)-10-(4-phenylphenyl)-2'-(trifluoromethyl)-9,9'-spirobi[acridine].

Molecular Properties

Compound Name10'-(3-phenylphenyl)-10-(4-phenylphenyl)-2'-(trifluoromethyl)-9,9'-spirobi[acridine]
PubChem CID176670445
Molecular FormulaC50H33F3N2
Molecular Weight718.82 g/mol
Exact Mass718.26
IUPAC Name10'-(3-phenylphenyl)-10-(4-phenylphenyl)-2'-(trifluoromethyl)-9,9'-spirobi[acridine]
SMILESFC(F)(F)c1ccc2c(c1)C1(c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccccc31)c1ccccc1N2c1cccc(-c2ccccc2)c1
InChIInChI=1S/C50H33F3N2/c51-50(52,53)38-28-31-48-44(33-38)49(43-22-9-12-25-47(43)55(48)40-19-13-18-37(32-40)35-16-5-2-6-17-35)41-20-7-10-23-45(41)54(46-24-11-8-21-42(46)49)39-29-26-36(27-30-39)34-14-3-1-4-15-34/h1-33H
InChIKeyJZQVQZCIACZBQK-UHFFFAOYSA-N
XLogP13.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.82
LogP ≤ 513.99
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
10'-[3-(4-tert-butylphenyl)phenyl]-2'-phenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 171799183
2-phenyl-10,10'-bis(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465104
2-tert-butyl-9,9-bis(2-methylphenyl)-10-(4-phenylphenyl)acridine;1-methyl-4-phenylbenzene
CID 176670386
10-[4-[3-[3-[4-(9,9-diphenylacridin-10-yl)phenyl]phenyl]phenyl]phenyl]-9,9-diphenylacridine
CID 59470076
2-tert-butyl-10'-dibenzofuran-3-yl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 176670412
10'-[3-methyl-4-(2-methylphenyl)phenyl]-2,2'-diphenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465139
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
10,10'-bis(4-dibenzothiophen-1-ylphenyl)-2-phenyl-9,9'-spirobi[acridine]
CID 118465174
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
5-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-10-phenylphenazine
CID 153293260
ethane;2-fluoro-10-(4-naphthalen-1-ylphenyl)-10'-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 176670475

Frequently Asked Questions

What is the IUPAC name of 10'-(3-phenylphenyl)-10-(4-phenylphenyl)-2'-(trifluoromethyl)-9,9'-spirobi[acridine]?
The IUPAC name of 10'-(3-phenylphenyl)-10-(4-phenylphenyl)-2'-(trifluoromethyl)-9,9'-spirobi[acridine] (CID 176670445) is 10'-(3-phenylphenyl)-10-(4-phenylphenyl)-2'-(trifluoromethyl)-9,9'-spirobi[acridine].
What is the SMILES notation for 10'-(3-phenylphenyl)-10-(4-phenylphenyl)-2'-(trifluoromethyl)-9,9'-spirobi[acridine]?
The canonical SMILES for 10'-(3-phenylphenyl)-10-(4-phenylphenyl)-2'-(trifluoromethyl)-9,9'-spirobi[acridine] is FC(F)(F)c1ccc2c(c1)C1(c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccccc31)c1ccccc1N2c1cccc(-c2ccccc2)c1.
What is the InChIKey of 10'-(3-phenylphenyl)-10-(4-phenylphenyl)-2'-(trifluoromethyl)-9,9'-spirobi[acridine]?
The InChIKey is JZQVQZCIACZBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33F3N2/c51-50(52,53)38-28-31-48-44(33-38)49(43-22-9-12-25-47(43)55(48)40-19-13-18-37(32-40)35-16-5-2-6-17-35)41-20-7-10-23-45(41)54(46-24-11-8-21-42(46)49)39-29-26-36(27-30-39)34-14-3-1-4-15-34/h1-33H.
What are the key properties of 10'-(3-phenylphenyl)-10-(4-phenylphenyl)-2'-(trifluoromethyl)-9,9'-spirobi[acridine]?
10'-(3-phenylphenyl)-10-(4-phenylphenyl)-2'-(trifluoromethyl)-9,9'-spirobi[acridine] has a molecular weight of 718.82 g/mol, XLogP of 13.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10'-(3-phenylphenyl)-10-(4-phenylphenyl)-2'-(trifluoromethyl)-9,9'-spirobi[acridine] is sourced from PubChem (CID 176670445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).