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

C52H48N2 — CID 90938460

IUPAC1-[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
SMILESCC1(C)c2cc(C=Cc3ccc(N4CCCc5ccccc54)cc3)ccc2-c2cc3c(cc21)C(C)(C)c1cc(C=CN2CCCc4ccccc42)ccc1-3
InChIInChI=1S/C52H48N2/c1-51(2)45-31-36(18-17-35-19-23-40(24-20-35)54-29-10-14-39-12-6-8-16-50(39)54)21-25-41(45)43-33-44-42-26-22-37(32-46(42)52(3,4)48(44)34-47(43)51)27-30-53-28-9-13-38-11-5-7-15-49(38)53/h5-8,11-12,15-27,30-34H,9-10,13-14,28-29H2,1-4H3
InChIKeyAHNSZHZKYXMQPJ-UHFFFAOYSA-N
MW700.97 g/mol
LogP12.98
Rot. Bonds5

About 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

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 (PubChem CID 90938460) has the molecular formula C52H48N2 and a molecular weight of 700.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID90938460
Molecular FormulaC52H48N2
Molecular Weight700.97 g/mol
Exact Mass700.38
IUPAC Name1-[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
SMILESCC1(C)c2cc(C=Cc3ccc(N4CCCc5ccccc54)cc3)ccc2-c2cc3c(cc21)C(C)(C)c1cc(C=CN2CCCc4ccccc42)ccc1-3
InChIInChI=1S/C52H48N2/c1-51(2)45-31-36(18-17-35-19-23-40(24-20-35)54-29-10-14-39-12-6-8-16-50(39)54)21-25-41(45)43-33-44-42-26-22-37(32-46(42)52(3,4)48(44)34-47(43)51)27-30-53-28-9-13-38-11-5-7-15-49(38)53/h5-8,11-12,15-27,30-34H,9-10,13-14,28-29H2,1-4H3
InChIKeyAHNSZHZKYXMQPJ-UHFFFAOYSA-N
XLogP12.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.97
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 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
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-[(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
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
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
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
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-[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
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
1-[8-[(E)-2-[9,9-dimethyl-7-(3,4,5,6-tetrahydro-2H-quinolin-1-yl)fluoren-2-yl]ethenyl]dibenzothiophen-2-yl]-3,4-dihydro-2H-quinoline
CID 89070878
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(C=Cc3ccc(N4CCCc5ccccc54)cc3)ccc2-c2cc3c(cc21)C(C)(C)c1cc(C=CN2CCCc4ccccc42)ccc1-3.
What is the InChIKey of 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?
The InChIKey is AHNSZHZKYXMQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H48N2/c1-51(2)45-31-36(18-17-35-19-23-40(24-20-35)54-29-10-14-39-12-6-8-16-50(39)54)21-25-41(45)43-33-44-42-26-22-37(32-46(42)52(3,4)48(44)34-47(43)51)27-30-53-28-9-13-38-11-5-7-15-49(38)53/h5-8,11-12,15-27,30-34H,9-10,13-14,28-29H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 700.97 g/mol, XLogP of 12.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 90938460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).