5-[6-[(E)-2-[2'-[(E)-2-(3,4-dihydro-2H-quinolin-1-yl)prop-1-enyl]-1',3-dimethyl-2-[(Z)-prop-1-enyl]-1,3'-spirobi[indene]-5'-yl]ethenyl]naphthalen-2-yl]-10-phenylphenazine

C64H53N3 — CID 143984363

IUPAC5-[6-[(E)-2-[2'-[(E)-2-(3,4-dihydro-2H-quinolin-1-yl)prop-1-enyl]-1',3-dimethyl-2-[(Z)-prop-1-enyl]-1,3'-spirobi[indene]-5'-yl]ethenyl]naphthalen-2-yl]-10-phenylphenazine
SMILESC/C=C\C1=C(C)c2ccccc2C12C(/C=C(\C)N1CCCc3ccccc31)=C(C)c1ccc(/C=C/c3ccc4cc(N5c6ccccc6N(c6ccccc6)c6ccccc65)ccc4c3)cc12
InChIInChI=1S/C64H53N3/c1-5-18-55-44(3)53-23-10-11-24-56(53)64(55)57(39-43(2)65-38-17-20-48-19-9-12-25-59(48)65)45(4)54-37-33-47(41-58(54)64)31-30-46-32-34-50-42-52(36-35-49(50)40-46)67-62-28-15-13-26-60(62)66(51-21-7-6-8-22-51)61-27-14-16-29-63(61)67/h5-16,18-19,21-37,39-42H,17,20,38H2,1-4H3/b18-5-,31-30+,43-39+
InChIKeyPNMDTNQHPNDJLR-LBFOOAEASA-N
MW864.15 g/mol
LogP17.06
Rot. Bonds7

About 5-[6-[(E)-2-[2'-[(E)-2-(3,4-dihydro-2H-quinolin-1-yl)prop-1-enyl]-1',3-dimethyl-2-[(Z)-prop-1-enyl]-1,3'-spirobi[indene]-5'-yl]ethenyl]naphthalen-2-yl]-10-phenylphenazine

5-[6-[(E)-2-[2'-[(E)-2-(3,4-dihydro-2H-quinolin-1-yl)prop-1-enyl]-1',3-dimethyl-2-[(Z)-prop-1-enyl]-1,3'-spirobi[indene]-5'-yl]ethenyl]naphthalen-2-yl]-10-phenylphenazine (PubChem CID 143984363) has the molecular formula C64H53N3 and a molecular weight of 864.15 g/mol. Its IUPAC name is 5-[6-[(E)-2-[2'-[(E)-2-(3,4-dihydro-2H-quinolin-1-yl)prop-1-enyl]-1',3-dimethyl-2-[(Z)-prop-1-enyl]-1,3'-spirobi[indene]-5'-yl]ethenyl]naphthalen-2-yl]-10-phenylphenazine.

Molecular Properties

Compound Name5-[6-[(E)-2-[2'-[(E)-2-(3,4-dihydro-2H-quinolin-1-yl)prop-1-enyl]-1',3-dimethyl-2-[(Z)-prop-1-enyl]-1,3'-spirobi[indene]-5'-yl]ethenyl]naphthalen-2-yl]-10-phenylphenazine
PubChem CID143984363
Molecular FormulaC64H53N3
Molecular Weight864.15 g/mol
Exact Mass863.42
IUPAC Name5-[6-[(E)-2-[2'-[(E)-2-(3,4-dihydro-2H-quinolin-1-yl)prop-1-enyl]-1',3-dimethyl-2-[(Z)-prop-1-enyl]-1,3'-spirobi[indene]-5'-yl]ethenyl]naphthalen-2-yl]-10-phenylphenazine
SMILESC/C=C\C1=C(C)c2ccccc2C12C(/C=C(\C)N1CCCc3ccccc31)=C(C)c1ccc(/C=C/c3ccc4cc(N5c6ccccc6N(c6ccccc6)c6ccccc65)ccc4c3)cc12
InChIInChI=1S/C64H53N3/c1-5-18-55-44(3)53-23-10-11-24-56(53)64(55)57(39-43(2)65-38-17-20-48-19-9-12-25-59(48)65)45(4)54-37-33-47(41-58(54)64)31-30-46-32-34-50-42-52(36-35-49(50)40-46)67-62-28-15-13-26-60(62)66(51-21-7-6-8-22-51)61-27-14-16-29-63(61)67/h5-16,18-19,21-37,39-42H,17,20,38H2,1-4H3/b18-5-,31-30+,43-39+
InChIKeyPNMDTNQHPNDJLR-LBFOOAEASA-N
XLogP17.06
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.15
LogP ≤ 517.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 5-[6-[(E)-2-[2'-[(E)-2-(3,4-dihydro-2H-quinolin-1-yl)prop-1-enyl]-1',3-dimethyl-2-[(Z)-prop-1-enyl]-1,3'-spirobi[indene]-5'-yl]ethenyl]naphthalen-2-yl]-10-phenylphenazine with MolForge

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Related Compounds

10-[3-[4-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)prop-1-enyl]-1,3,3-trimethylinden-5-yl]ethenyl]phenyl]phenyl]phenothiazine
CID 90826186
10-[7-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]phenanthren-2-yl]-9H-acridine
CID 90962170
11-[6-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)spiro[9H-benzo[a]azulene-10,9'-fluorene]-2-yl]ethenyl]naphthalen-2-yl]benzo[b][1]benzazepine
CID 91233146
10-[1-[6'-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-diphenylfluoren-2-yl]ethenyl]-3'-methylspiro[1,3-dihydroindene-2,1'-indene]-2'-yl]buta-1,3-dien-2-yl]-9,9-dimethylacridine
CID 91044338
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
11-[6-[(E)-2-[9,9-dimethyl-7-(10-phenylphenazin-5-yl)fluoren-2-yl]ethenyl]naphthalen-2-yl]benzo[b][1]benzazepine
CID 89071177
11-[6-[(E)-2-[7'-(9,10-dihydrobenzo[b][1]benzazepin-11-yl)-9,9'-spirobi[fluorene]-2'-yl]ethenyl]naphthalen-2-yl]benzo[b][1]benzazepine
CID 89070967
11-[7-[(E)-2-[10-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)anthracen-9-yl]ethenyl]-9,9-diphenylfluoren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 143984146
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-[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-[7'-[(E)-2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-5'-methyl-9,9'-spirobi[fluorene]-2'-yl]-4,9-dihydro-3H-acridine
CID 89070944
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

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(E)-2-[2'-[(E)-2-(3,4-dihydro-2H-quinolin-1-yl)prop-1-enyl]-1',3-dimethyl-2-[(Z)-prop-1-enyl]-1,3'-spirobi[indene]-5'-yl]ethenyl]naphthalen-2-yl]-10-phenylphenazine?
The IUPAC name of 5-[6-[(E)-2-[2'-[(E)-2-(3,4-dihydro-2H-quinolin-1-yl)prop-1-enyl]-1',3-dimethyl-2-[(Z)-prop-1-enyl]-1,3'-spirobi[indene]-5'-yl]ethenyl]naphthalen-2-yl]-10-phenylphenazine (CID 143984363) is 5-[6-[(E)-2-[2'-[(E)-2-(3,4-dihydro-2H-quinolin-1-yl)prop-1-enyl]-1',3-dimethyl-2-[(Z)-prop-1-enyl]-1,3'-spirobi[indene]-5'-yl]ethenyl]naphthalen-2-yl]-10-phenylphenazine.
What is the SMILES notation for 5-[6-[(E)-2-[2'-[(E)-2-(3,4-dihydro-2H-quinolin-1-yl)prop-1-enyl]-1',3-dimethyl-2-[(Z)-prop-1-enyl]-1,3'-spirobi[indene]-5'-yl]ethenyl]naphthalen-2-yl]-10-phenylphenazine?
The canonical SMILES for 5-[6-[(E)-2-[2'-[(E)-2-(3,4-dihydro-2H-quinolin-1-yl)prop-1-enyl]-1',3-dimethyl-2-[(Z)-prop-1-enyl]-1,3'-spirobi[indene]-5'-yl]ethenyl]naphthalen-2-yl]-10-phenylphenazine is C/C=C\C1=C(C)c2ccccc2C12C(/C=C(\C)N1CCCc3ccccc31)=C(C)c1ccc(/C=C/c3ccc4cc(N5c6ccccc6N(c6ccccc6)c6ccccc65)ccc4c3)cc12.
What is the InChIKey of 5-[6-[(E)-2-[2'-[(E)-2-(3,4-dihydro-2H-quinolin-1-yl)prop-1-enyl]-1',3-dimethyl-2-[(Z)-prop-1-enyl]-1,3'-spirobi[indene]-5'-yl]ethenyl]naphthalen-2-yl]-10-phenylphenazine?
The InChIKey is PNMDTNQHPNDJLR-LBFOOAEASA-N. The full InChI is InChI=1S/C64H53N3/c1-5-18-55-44(3)53-23-10-11-24-56(53)64(55)57(39-43(2)65-38-17-20-48-19-9-12-25-59(48)65)45(4)54-37-33-47(41-58(54)64)31-30-46-32-34-50-42-52(36-35-49(50)40-46)67-62-28-15-13-26-60(62)66(51-21-7-6-8-22-51)61-27-14-16-29-63(61)67/h5-16,18-19,21-37,39-42H,17,20,38H2,1-4H3/b18-5-,31-30+,43-39+.
What are the key properties of 5-[6-[(E)-2-[2'-[(E)-2-(3,4-dihydro-2H-quinolin-1-yl)prop-1-enyl]-1',3-dimethyl-2-[(Z)-prop-1-enyl]-1,3'-spirobi[indene]-5'-yl]ethenyl]naphthalen-2-yl]-10-phenylphenazine?
5-[6-[(E)-2-[2'-[(E)-2-(3,4-dihydro-2H-quinolin-1-yl)prop-1-enyl]-1',3-dimethyl-2-[(Z)-prop-1-enyl]-1,3'-spirobi[indene]-5'-yl]ethenyl]naphthalen-2-yl]-10-phenylphenazine has a molecular weight of 864.15 g/mol, XLogP of 17.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(E)-2-[2'-[(E)-2-(3,4-dihydro-2H-quinolin-1-yl)prop-1-enyl]-1',3-dimethyl-2-[(Z)-prop-1-enyl]-1,3'-spirobi[indene]-5'-yl]ethenyl]naphthalen-2-yl]-10-phenylphenazine is sourced from PubChem (CID 143984363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).