10-[5-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-9,9-dimethylacridine

C51H46N2 — CID 89070990

IUPAC10-[5-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-9,9-dimethylacridine
SMILESCC1(C)c2cc(/C=C/C3=c4cccc(N5c6ccccc6C(C)(C)c6ccccc65)c4=CCC3)ccc2-c2ccc(N3CCCc4ccccc43)cc21
InChIInChI=1S/C51H46N2/c1-50(2)42-19-6-9-22-48(42)53(49-23-10-7-20-43(49)50)47-24-12-17-38-35(15-11-18-41(38)47)27-25-34-26-29-39-40-30-28-37(33-45(40)51(3,4)44(39)32-34)52-31-13-16-36-14-5-8-21-46(36)52/h5-10,12,14,17-30,32-33H,11,13,15-16,31H2,1-4H3/b27-25+
InChIKeyWLUQCLLLRUJRQY-IMVLJIQESA-N
MW686.94 g/mol
LogP11.62
Rot. Bonds4

About 10-[5-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-9,9-dimethylacridine

10-[5-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-9,9-dimethylacridine (PubChem CID 89070990) has the molecular formula C51H46N2 and a molecular weight of 686.94 g/mol. Its IUPAC name is 10-[5-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-9,9-dimethylacridine.

Molecular Properties

Compound Name10-[5-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-9,9-dimethylacridine
PubChem CID89070990
Molecular FormulaC51H46N2
Molecular Weight686.94 g/mol
Exact Mass686.37
IUPAC Name10-[5-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-9,9-dimethylacridine
SMILESCC1(C)c2cc(/C=C/C3=c4cccc(N5c6ccccc6C(C)(C)c6ccccc65)c4=CCC3)ccc2-c2ccc(N3CCCc4ccccc43)cc21
InChIInChI=1S/C51H46N2/c1-50(2)42-19-6-9-22-48(42)53(49-23-10-7-20-43(49)50)47-24-12-17-38-35(15-11-18-41(38)47)27-25-34-26-29-39-40-30-28-37(33-45(40)51(3,4)44(39)32-34)52-31-13-16-36-14-5-8-21-46(36)52/h5-10,12,14,17-30,32-33H,11,13,15-16,31H2,1-4H3/b27-25+
InChIKeyWLUQCLLLRUJRQY-IMVLJIQESA-N
XLogP11.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.94
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-[5-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-9,9-dimethylacridine with MolForge

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Related Compounds

1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline
CID 90809411
1-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[cyclohexane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline
CID 91214986
10-[8-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[benzo[b][1]benzosilole-5,1'-silolane]-2-yl]-9,9-dimethylacridine
CID 90948787
10-[4-[4-[(E)-2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]phenyl]-9,9-dimethylacridine
CID 89071707
1-[7-[(E)-2-[12-(3,4-dihydro-2H-quinolin-1-yl)chrysen-6-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-3,4-dihydro-2H-quinoline
CID 89071639
11-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]benzo[b][1]benzazepine
CID 90906407
2,3-bis(ethenyl)-1-[5-[2-[7'-(5-methyl-3,4,5,6-tetrahydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-4H-quinoline
CID 91389501
1-[4-[2-[8-[2-(3,4-dihydro-2H-quinolin-1-yl)ethenyl]-10,10,12,12-tetramethylindeno[2,1-b]fluoren-2-yl]ethenyl]phenyl]-3,4-dihydro-2H-quinoline
CID 90938460
1-[7'-[(E)-2-[4-(3,4-dihydro-2H-quinolin-1-yl)phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-3,4-dihydro-2H-quinoline
CID 89071564
1-[7-[2-[9,9-dimethyl-7-(7-methyl-3,4,7,8-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]phenanthren-2-yl]-3,4-dihydro-2H-quinoline
CID 91610645
1-[7-[(E)-2-[2-ethenyl-3,3-diphenyl-1-[(Z)-prop-1-enyl]inden-5-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-3,4-dihydro-2H-quinoline
CID 89071530
10-[7-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenanthren-2-yl]-9,9a-dihydro-4aH-acridine
CID 89071603

Frequently Asked Questions

What is the IUPAC name of 10-[5-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-9,9-dimethylacridine?
The IUPAC name of 10-[5-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-9,9-dimethylacridine (CID 89070990) is 10-[5-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-9,9-dimethylacridine.
What is the SMILES notation for 10-[5-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-9,9-dimethylacridine?
The canonical SMILES for 10-[5-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-9,9-dimethylacridine is CC1(C)c2cc(/C=C/C3=c4cccc(N5c6ccccc6C(C)(C)c6ccccc65)c4=CCC3)ccc2-c2ccc(N3CCCc4ccccc43)cc21.
What is the InChIKey of 10-[5-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-9,9-dimethylacridine?
The InChIKey is WLUQCLLLRUJRQY-IMVLJIQESA-N. The full InChI is InChI=1S/C51H46N2/c1-50(2)42-19-6-9-22-48(42)53(49-23-10-7-20-43(49)50)47-24-12-17-38-35(15-11-18-41(38)47)27-25-34-26-29-39-40-30-28-37(33-45(40)51(3,4)44(39)32-34)52-31-13-16-36-14-5-8-21-46(36)52/h5-10,12,14,17-30,32-33H,11,13,15-16,31H2,1-4H3/b27-25+.
What are the key properties of 10-[5-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-9,9-dimethylacridine?
10-[5-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-9,9-dimethylacridine has a molecular weight of 686.94 g/mol, XLogP of 11.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[5-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-6,7-dihydronaphthalen-1-yl]-9,9-dimethylacridine is sourced from PubChem (CID 89070990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).