10-phenyl-10'-[3-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[acridine]

C37H24F3N3 — CID 139575024

IUPAC10-phenyl-10'-[3-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[acridine]
SMILESFC(F)(F)c1cccnc1N1c2ccccc2C2(c3ccccc3N(c3ccccc3)c3ccccc32)c2ccccc21
InChIInChI=1S/C37H24F3N3/c38-37(39,40)30-19-12-24-41-35(30)43-33-22-10-6-17-28(33)36(29-18-7-11-23-34(29)43)26-15-4-8-20-31(26)42(25-13-2-1-3-14-25)32-21-9-5-16-27(32)36/h1-24H
InChIKeyQAXNGGBBLNESPC-UHFFFAOYSA-N
MW567.61 g/mol
LogP10.05
Rot. Bonds2

About 10-phenyl-10'-[3-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[acridine]

10-phenyl-10'-[3-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[acridine] (PubChem CID 139575024) has the molecular formula C37H24F3N3 and a molecular weight of 567.61 g/mol. Its IUPAC name is 10-phenyl-10'-[3-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[acridine].

Molecular Properties

Compound Name10-phenyl-10'-[3-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[acridine]
PubChem CID139575024
Molecular FormulaC37H24F3N3
Molecular Weight567.61 g/mol
Exact Mass567.19
IUPAC Name10-phenyl-10'-[3-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[acridine]
SMILESFC(F)(F)c1cccnc1N1c2ccccc2C2(c3ccccc3N(c3ccccc3)c3ccccc32)c2ccccc21
InChIInChI=1S/C37H24F3N3/c38-37(39,40)30-19-12-24-41-35(30)43-33-22-10-6-17-28(33)36(29-18-7-11-23-34(29)43)26-15-4-8-20-31(26)42(25-13-2-1-3-14-25)32-21-9-5-16-27(32)36/h1-24H
InChIKeyQAXNGGBBLNESPC-UHFFFAOYSA-N
XLogP10.05
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.61
LogP ≤ 510.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-phenyl-9,9-dipyridin-2-ylacridine
CID 58029185
10'-phenylspiro[anthracene-10,5'-benzo[b][1,8]naphthyridine]-9-one
CID 161296094
CID 137451109
CID 137451109
10-phenyl-10'-(5-pyridin-4-ylpyrido[3,2-b]indol-8-yl)-9,9'-spirobi[acridine]
CID 139574635
5-bromo-10'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]
CID 147334151
9,9-bis(2-methylphenyl)-10-phenylacridine
CID 59470095
10-phenyl-10'-(8-pyridin-3-yl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl)-9,9'-spirobi[acridine]
CID 139574637
10'-(3-phenylphenyl)-10-(4-phenylphenyl)-2'-(trifluoromethyl)-9,9'-spirobi[acridine]
CID 176670445
2-pyrrol-1-yl-3-(trifluoromethyl)pyridine
CID 173026104
10-[4-(9,9-diphenylacridin-10-yl)phenyl]-9,9-diphenylacridine
CID 59399598
10-(5-pyridin-3-ylpyrido[3,2-b]indol-8-yl)spiro[acridine-9,9'-fluorene]
CID 138641297
10-phenylspiro[acridine-9,5'-pyrido[4,3-g]isoquinoline]-10'-one
CID 159430495

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-10'-[3-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[acridine]?
The IUPAC name of 10-phenyl-10'-[3-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[acridine] (CID 139575024) is 10-phenyl-10'-[3-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[acridine].
What is the SMILES notation for 10-phenyl-10'-[3-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[acridine]?
The canonical SMILES for 10-phenyl-10'-[3-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[acridine] is FC(F)(F)c1cccnc1N1c2ccccc2C2(c3ccccc3N(c3ccccc3)c3ccccc32)c2ccccc21.
What is the InChIKey of 10-phenyl-10'-[3-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[acridine]?
The InChIKey is QAXNGGBBLNESPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24F3N3/c38-37(39,40)30-19-12-24-41-35(30)43-33-22-10-6-17-28(33)36(29-18-7-11-23-34(29)43)26-15-4-8-20-31(26)42(25-13-2-1-3-14-25)32-21-9-5-16-27(32)36/h1-24H.
What are the key properties of 10-phenyl-10'-[3-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[acridine]?
10-phenyl-10'-[3-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[acridine] has a molecular weight of 567.61 g/mol, XLogP of 10.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-10'-[3-(trifluoromethyl)-2-pyridinyl]-9,9'-spirobi[acridine] is sourced from PubChem (CID 139575024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).