5-[6-[(E)-2-[3-[1-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]cyclopentyl]-4-methylphenyl]ethenyl]-3-pyridinyl]-10-phenylphenazine

C52H46N4 — CID 89071479

IUPAC5-[6-[(E)-2-[3-[1-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]cyclopentyl]-4-methylphenyl]ethenyl]-3-pyridinyl]-10-phenylphenazine
SMILESCc1ccc(/C=C/c2ccc(N3c4ccccc4N(c4ccccc4)c4ccccc43)cn2)cc1C1(c2cccc(N3CCCc4ccccc43)c2)CCCC1
InChIInChI=1S/C52H46N4/c1-38-26-27-39(35-46(38)52(32-11-12-33-52)41-17-13-20-44(36-41)54-34-14-16-40-15-5-6-21-47(40)54)28-29-42-30-31-45(37-53-42)56-50-24-9-7-22-48(50)55(43-18-3-2-4-19-43)49-23-8-10-25-51(49)56/h2-10,13,15,17-31,35-37H,11-12,14,16,32-34H2,1H3/b29-28+
InChIKeyJJNLMBCYMMBMDA-ZQHSETAFSA-N
MW726.97 g/mol
LogP13.76
Rot. Bonds7

About 5-[6-[(E)-2-[3-[1-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]cyclopentyl]-4-methylphenyl]ethenyl]-3-pyridinyl]-10-phenylphenazine

5-[6-[(E)-2-[3-[1-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]cyclopentyl]-4-methylphenyl]ethenyl]-3-pyridinyl]-10-phenylphenazine (PubChem CID 89071479) has the molecular formula C52H46N4 and a molecular weight of 726.97 g/mol. Its IUPAC name is 5-[6-[(E)-2-[3-[1-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]cyclopentyl]-4-methylphenyl]ethenyl]-3-pyridinyl]-10-phenylphenazine.

Molecular Properties

Compound Name5-[6-[(E)-2-[3-[1-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]cyclopentyl]-4-methylphenyl]ethenyl]-3-pyridinyl]-10-phenylphenazine
PubChem CID89071479
Molecular FormulaC52H46N4
Molecular Weight726.97 g/mol
Exact Mass726.37
IUPAC Name5-[6-[(E)-2-[3-[1-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]cyclopentyl]-4-methylphenyl]ethenyl]-3-pyridinyl]-10-phenylphenazine
SMILESCc1ccc(/C=C/c2ccc(N3c4ccccc4N(c4ccccc4)c4ccccc43)cn2)cc1C1(c2cccc(N3CCCc4ccccc43)c2)CCCC1
InChIInChI=1S/C52H46N4/c1-38-26-27-39(35-46(38)52(32-11-12-33-52)41-17-13-20-44(36-41)54-34-14-16-40-15-5-6-21-47(40)54)28-29-42-30-31-45(37-53-42)56-50-24-9-7-22-48(50)55(43-18-3-2-4-19-43)49-23-8-10-25-51(49)56/h2-10,13,15,17-31,35-37H,11-12,14,16,32-34H2,1H3/b29-28+
InChIKeyJJNLMBCYMMBMDA-ZQHSETAFSA-N
XLogP13.76
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.97
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-10-[7'-[(E)-2-[5-(10-phenylphenazin-5-yl)-2-pyridinyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenazine
CID 143984195
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-[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-[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'-[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
5-[4-[10-[4-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9-ethyl-9-methylfluoren-2-yl]ethenyl]phenyl]anthracen-9-yl]phenyl]-10-phenylphenazine
CID 143984086
10-[7'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]phenothiazine
CID 91109293
10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]phenanthren-2-yl]-9H-acridine
CID 90962170
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
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
ethane;1-phenyl-3,4-dihydro-2H-quinoline
CID 145126037
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

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(E)-2-[3-[1-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]cyclopentyl]-4-methylphenyl]ethenyl]-3-pyridinyl]-10-phenylphenazine?
The IUPAC name of 5-[6-[(E)-2-[3-[1-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]cyclopentyl]-4-methylphenyl]ethenyl]-3-pyridinyl]-10-phenylphenazine (CID 89071479) is 5-[6-[(E)-2-[3-[1-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]cyclopentyl]-4-methylphenyl]ethenyl]-3-pyridinyl]-10-phenylphenazine.
What is the SMILES notation for 5-[6-[(E)-2-[3-[1-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]cyclopentyl]-4-methylphenyl]ethenyl]-3-pyridinyl]-10-phenylphenazine?
The canonical SMILES for 5-[6-[(E)-2-[3-[1-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]cyclopentyl]-4-methylphenyl]ethenyl]-3-pyridinyl]-10-phenylphenazine is Cc1ccc(/C=C/c2ccc(N3c4ccccc4N(c4ccccc4)c4ccccc43)cn2)cc1C1(c2cccc(N3CCCc4ccccc43)c2)CCCC1.
What is the InChIKey of 5-[6-[(E)-2-[3-[1-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]cyclopentyl]-4-methylphenyl]ethenyl]-3-pyridinyl]-10-phenylphenazine?
The InChIKey is JJNLMBCYMMBMDA-ZQHSETAFSA-N. The full InChI is InChI=1S/C52H46N4/c1-38-26-27-39(35-46(38)52(32-11-12-33-52)41-17-13-20-44(36-41)54-34-14-16-40-15-5-6-21-47(40)54)28-29-42-30-31-45(37-53-42)56-50-24-9-7-22-48(50)55(43-18-3-2-4-19-43)49-23-8-10-25-51(49)56/h2-10,13,15,17-31,35-37H,11-12,14,16,32-34H2,1H3/b29-28+.
What are the key properties of 5-[6-[(E)-2-[3-[1-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]cyclopentyl]-4-methylphenyl]ethenyl]-3-pyridinyl]-10-phenylphenazine?
5-[6-[(E)-2-[3-[1-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]cyclopentyl]-4-methylphenyl]ethenyl]-3-pyridinyl]-10-phenylphenazine has a molecular weight of 726.97 g/mol, XLogP of 13.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(E)-2-[3-[1-[3-(3,4-dihydro-2H-quinolin-1-yl)phenyl]cyclopentyl]-4-methylphenyl]ethenyl]-3-pyridinyl]-10-phenylphenazine is sourced from PubChem (CID 89071479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).