1-[9,9-dimethyl-7-[2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]ethenyl]fluoren-2-yl]-2,2,4-trimethyl-3,4,5,6-tetrahydroquinoline

C49H50N2 — CID 91122713

IUPAC1-[9,9-dimethyl-7-[2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]ethenyl]fluoren-2-yl]-2,2,4-trimethyl-3,4,5,6-tetrahydroquinoline
SMILESCC1CC(C)(C)N(c2ccc3c(c2)C(C)(C)c2cc(C=Cc4ccc5cc(N6c7ccccc7CCC6C)ccc5c4)ccc2-3)C2=C1CCC=C2
InChIInChI=1S/C49H50N2/c1-32-31-48(3,4)51(47-14-10-8-12-41(32)47)40-24-26-43-42-25-19-35(28-44(42)49(5,6)45(43)30-40)17-16-34-18-21-38-29-39(23-22-37(38)27-34)50-33(2)15-20-36-11-7-9-13-46(36)50/h7,9-11,13-14,16-19,21-30,32-33H,8,12,15,20,31H2,1-6H3
InChIKeyDGMXMSQAPKGRHV-UHFFFAOYSA-N
MW666.95 g/mol
LogP13.02
Rot. Bonds4

About 1-[9,9-dimethyl-7-[2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]ethenyl]fluoren-2-yl]-2,2,4-trimethyl-3,4,5,6-tetrahydroquinoline

1-[9,9-dimethyl-7-[2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]ethenyl]fluoren-2-yl]-2,2,4-trimethyl-3,4,5,6-tetrahydroquinoline (PubChem CID 91122713) has the molecular formula C49H50N2 and a molecular weight of 666.95 g/mol. Its IUPAC name is 1-[9,9-dimethyl-7-[2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]ethenyl]fluoren-2-yl]-2,2,4-trimethyl-3,4,5,6-tetrahydroquinoline.

Molecular Properties

Compound Name1-[9,9-dimethyl-7-[2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]ethenyl]fluoren-2-yl]-2,2,4-trimethyl-3,4,5,6-tetrahydroquinoline
PubChem CID91122713
Molecular FormulaC49H50N2
Molecular Weight666.95 g/mol
Exact Mass666.40
IUPAC Name1-[9,9-dimethyl-7-[2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]ethenyl]fluoren-2-yl]-2,2,4-trimethyl-3,4,5,6-tetrahydroquinoline
SMILESCC1CC(C)(C)N(c2ccc3c(c2)C(C)(C)c2cc(C=Cc4ccc5cc(N6c7ccccc7CCC6C)ccc5c4)ccc2-3)C2=C1CCC=C2
InChIInChI=1S/C49H50N2/c1-32-31-48(3,4)51(47-14-10-8-12-41(32)47)40-24-26-43-42-25-19-35(28-44(42)49(5,6)45(43)30-40)17-16-34-18-21-38-29-39(23-22-37(38)27-34)50-33(2)15-20-36-11-7-9-13-46(36)50/h7,9-11,13-14,16-19,21-30,32-33H,8,12,15,20,31H2,1-6H3
InChIKeyDGMXMSQAPKGRHV-UHFFFAOYSA-N
XLogP13.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.95
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[9,9-dimethyl-7-[2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]ethenyl]fluoren-2-yl]-2,2,4-trimethyl-3,4,5,6-tetrahydroquinoline with MolForge

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Related Compounds

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
11-[7'-[(E)-2-[9,9-dimethyl-7-(5,6,7,8-tetrahydrobenzo[b][1]benzazepin-11-yl)fluoren-2-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89070738
1-[4-[7-[2-[7-(2,2-dimethyl-3,4-dihydroquinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenyl]-2,2-dimethyl-3,4-dihydroquinoline
CID 91445519
5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine
CID 89071084
11-[7-[(E)-2-[7-(10-cyclohexa-2,4-dien-1-ylphenazin-5-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenanthren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89071630
1-[7-[(E)-2-[9,9-dimethyl-7-[4-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]-5,6-dihydrofluoren-2-yl]ethenyl]-6,9,9-trimethylfluoren-2-yl]-2,2-dimethylquinoline
CID 89070897
10-[7'-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]spiro[3,4-dihydrofluorene-9,9'-fluorene]-2'-yl]-9H-acridine
CID 89070861
11-[7-[2-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]benzo[b][1]benzazepine
CID 90788530
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
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
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

Frequently Asked Questions

What is the IUPAC name of 1-[9,9-dimethyl-7-[2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]ethenyl]fluoren-2-yl]-2,2,4-trimethyl-3,4,5,6-tetrahydroquinoline?
The IUPAC name of 1-[9,9-dimethyl-7-[2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]ethenyl]fluoren-2-yl]-2,2,4-trimethyl-3,4,5,6-tetrahydroquinoline (CID 91122713) is 1-[9,9-dimethyl-7-[2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]ethenyl]fluoren-2-yl]-2,2,4-trimethyl-3,4,5,6-tetrahydroquinoline.
What is the SMILES notation for 1-[9,9-dimethyl-7-[2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]ethenyl]fluoren-2-yl]-2,2,4-trimethyl-3,4,5,6-tetrahydroquinoline?
The canonical SMILES for 1-[9,9-dimethyl-7-[2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]ethenyl]fluoren-2-yl]-2,2,4-trimethyl-3,4,5,6-tetrahydroquinoline is CC1CC(C)(C)N(c2ccc3c(c2)C(C)(C)c2cc(C=Cc4ccc5cc(N6c7ccccc7CCC6C)ccc5c4)ccc2-3)C2=C1CCC=C2.
What is the InChIKey of 1-[9,9-dimethyl-7-[2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]ethenyl]fluoren-2-yl]-2,2,4-trimethyl-3,4,5,6-tetrahydroquinoline?
The InChIKey is DGMXMSQAPKGRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H50N2/c1-32-31-48(3,4)51(47-14-10-8-12-41(32)47)40-24-26-43-42-25-19-35(28-44(42)49(5,6)45(43)30-40)17-16-34-18-21-38-29-39(23-22-37(38)27-34)50-33(2)15-20-36-11-7-9-13-46(36)50/h7,9-11,13-14,16-19,21-30,32-33H,8,12,15,20,31H2,1-6H3.
What are the key properties of 1-[9,9-dimethyl-7-[2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]ethenyl]fluoren-2-yl]-2,2,4-trimethyl-3,4,5,6-tetrahydroquinoline?
1-[9,9-dimethyl-7-[2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]ethenyl]fluoren-2-yl]-2,2,4-trimethyl-3,4,5,6-tetrahydroquinoline has a molecular weight of 666.95 g/mol, XLogP of 13.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9,9-dimethyl-7-[2-[6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]ethenyl]fluoren-2-yl]-2,2,4-trimethyl-3,4,5,6-tetrahydroquinoline is sourced from PubChem (CID 91122713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).