7-[2,7-difluoro-9-(2-hydroxyphenyl)-9-(2-methylphenyl)acridin-10-yl]-3-methyl-1-phenylquinolin-4-one

C42H30F2N2O2 — CID 163950239

IUPAC7-[2,7-difluoro-9-(2-hydroxyphenyl)-9-(2-methylphenyl)acridin-10-yl]-3-methyl-1-phenylquinolin-4-one
SMILESCc1ccccc1C1(c2ccccc2O)c2cc(F)ccc2N(c2ccc3c(=O)c(C)cn(-c4ccccc4)c3c2)c2ccc(F)cc21
InChIInChI=1S/C42H30F2N2O2/c1-26-10-6-7-13-33(26)42(34-14-8-9-15-40(34)47)35-22-28(43)16-20-37(35)46(38-21-17-29(44)23-36(38)42)31-18-19-32-39(24-31)45(25-27(2)41(32)48)30-11-4-3-5-12-30/h3-25,47H,1-2H3
InChIKeyRYRMGDSFFFVELY-UHFFFAOYSA-N
MW632.71 g/mol
LogP9.76
Rot. Bonds4

About 7-[2,7-difluoro-9-(2-hydroxyphenyl)-9-(2-methylphenyl)acridin-10-yl]-3-methyl-1-phenylquinolin-4-one

7-[2,7-difluoro-9-(2-hydroxyphenyl)-9-(2-methylphenyl)acridin-10-yl]-3-methyl-1-phenylquinolin-4-one (PubChem CID 163950239) has the molecular formula C42H30F2N2O2 and a molecular weight of 632.71 g/mol. Its IUPAC name is 7-[2,7-difluoro-9-(2-hydroxyphenyl)-9-(2-methylphenyl)acridin-10-yl]-3-methyl-1-phenylquinolin-4-one.

Molecular Properties

Compound Name7-[2,7-difluoro-9-(2-hydroxyphenyl)-9-(2-methylphenyl)acridin-10-yl]-3-methyl-1-phenylquinolin-4-one
PubChem CID163950239
Molecular FormulaC42H30F2N2O2
Molecular Weight632.71 g/mol
Exact Mass632.23
IUPAC Name7-[2,7-difluoro-9-(2-hydroxyphenyl)-9-(2-methylphenyl)acridin-10-yl]-3-methyl-1-phenylquinolin-4-one
SMILESCc1ccccc1C1(c2ccccc2O)c2cc(F)ccc2N(c2ccc3c(=O)c(C)cn(-c4ccccc4)c3c2)c2ccc(F)cc21
InChIInChI=1S/C42H30F2N2O2/c1-26-10-6-7-13-33(26)42(34-14-8-9-15-40(34)47)35-22-28(43)16-20-37(35)46(38-21-17-29(44)23-36(38)42)31-18-19-32-39(24-31)45(25-27(2)41(32)48)30-11-4-3-5-12-30/h3-25,47H,1-2H3
InChIKeyRYRMGDSFFFVELY-UHFFFAOYSA-N
XLogP9.76
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.71
LogP ≤ 59.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9,9-bis(2-methylphenyl)-10-phenylacridine
CID 59470095
6-(2,7-dimethylspiro[acridine-9,9'-xanthene]-10-yl)-3-methyl-1-phenylquinolin-4-one;3-methyl-1-phenyl-6-(N-phenylanilino)quinolin-4-one;3-methyl-1-phenyl-6-spiro[acridine-9,9'-thioxanthene]-10-ylquinolin-4-one;3-methyl-1-phenyl-6-spiro[acridine-9,9'-xanthene]-10-ylquinolin-4-one
CID 161206904
2'-fluoro-10,10'-bis(4-phenylphenyl)-2-(trifluoromethyl)-9,9'-spirobi[acridine]
CID 176670484
ethane;2-fluoro-10-(4-naphthalen-1-ylphenyl)-10'-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 176670475
10'-[3-methyl-4-(2-methylphenyl)phenyl]-2,2'-diphenyl-10-(4-phenylphenyl)-9,9'-spirobi[acridine]
CID 118465139
3,6-difluoro-10-phenylacridin-9-one
CID 156785373
2-tert-butyl-9,9-bis(2-methylphenyl)-10-(4-phenylphenyl)acridine;1-methyl-4-phenylbenzene
CID 176670386
10-methyl-10'-phenylspiro[21λ6-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-14,9'-acridine] 21,21-dioxide
CID 140938168
6-[3,6-bis(N-phenylanilino)carbazol-9-yl]-4-methyl-2-phenylisoquinolin-1-one;6-(3,6-diphenylcarbazol-9-yl)-4-methyl-2-phenylisoquinolin-1-one;4-methyl-6-(2-methyl-7-trimethylsilylspiro[acridine-9,9'-fluorene]-10-yl)-2-phenylisoquinolin-1-one
CID 158449680
CID 137451115
CID 137451115
3-spiro[acridine-9,9'-thioxanthene]-10-ylxanthen-9-one
CID 121337039
3-methyl-1-[3,3,3-trifluoro-2-[(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)methyl]-2-hydroxypropyl]quinolin-4-one
CID 69062006

Frequently Asked Questions

What is the IUPAC name of 7-[2,7-difluoro-9-(2-hydroxyphenyl)-9-(2-methylphenyl)acridin-10-yl]-3-methyl-1-phenylquinolin-4-one?
The IUPAC name of 7-[2,7-difluoro-9-(2-hydroxyphenyl)-9-(2-methylphenyl)acridin-10-yl]-3-methyl-1-phenylquinolin-4-one (CID 163950239) is 7-[2,7-difluoro-9-(2-hydroxyphenyl)-9-(2-methylphenyl)acridin-10-yl]-3-methyl-1-phenylquinolin-4-one.
What is the SMILES notation for 7-[2,7-difluoro-9-(2-hydroxyphenyl)-9-(2-methylphenyl)acridin-10-yl]-3-methyl-1-phenylquinolin-4-one?
The canonical SMILES for 7-[2,7-difluoro-9-(2-hydroxyphenyl)-9-(2-methylphenyl)acridin-10-yl]-3-methyl-1-phenylquinolin-4-one is Cc1ccccc1C1(c2ccccc2O)c2cc(F)ccc2N(c2ccc3c(=O)c(C)cn(-c4ccccc4)c3c2)c2ccc(F)cc21.
What is the InChIKey of 7-[2,7-difluoro-9-(2-hydroxyphenyl)-9-(2-methylphenyl)acridin-10-yl]-3-methyl-1-phenylquinolin-4-one?
The InChIKey is RYRMGDSFFFVELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30F2N2O2/c1-26-10-6-7-13-33(26)42(34-14-8-9-15-40(34)47)35-22-28(43)16-20-37(35)46(38-21-17-29(44)23-36(38)42)31-18-19-32-39(24-31)45(25-27(2)41(32)48)30-11-4-3-5-12-30/h3-25,47H,1-2H3.
What are the key properties of 7-[2,7-difluoro-9-(2-hydroxyphenyl)-9-(2-methylphenyl)acridin-10-yl]-3-methyl-1-phenylquinolin-4-one?
7-[2,7-difluoro-9-(2-hydroxyphenyl)-9-(2-methylphenyl)acridin-10-yl]-3-methyl-1-phenylquinolin-4-one has a molecular weight of 632.71 g/mol, XLogP of 9.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2,7-difluoro-9-(2-hydroxyphenyl)-9-(2-methylphenyl)acridin-10-yl]-3-methyl-1-phenylquinolin-4-one is sourced from PubChem (CID 163950239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).