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

C60H58N2 — CID 89070897

IUPAC1-[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
SMILESCc1cc2c(cc1/C=C/c1ccc3c(c1)C(C)(C)C1=C3CCC(c3ccc(N4c5ccccc5CCC4C)cc3)=C1)C(C)(C)c1cc(N3c4ccccc4C=CC3(C)C)ccc1-2
InChIInChI=1S/C60H58N2/c1-38-33-51-50-30-27-47(62-57-16-12-10-14-43(57)31-32-58(62,3)4)37-55(50)60(7,8)54(51)35-44(38)21-18-40-19-28-48-49-29-24-45(36-53(49)59(5,6)52(48)34-40)41-22-25-46(26-23-41)61-39(2)17-20-42-13-9-11-15-56(42)61/h9-16,18-19,21-23,25-28,30-37,39H,17,20,24,29H2,1-8H3/b21-18+
InChIKeyUDOWDUDCYVJOEG-DYTRJAOYSA-N
MW807.14 g/mol
LogP15.81
Rot. Bonds5

About 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

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 (PubChem CID 89070897) has the molecular formula C60H58N2 and a molecular weight of 807.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID89070897
Molecular FormulaC60H58N2
Molecular Weight807.14 g/mol
Exact Mass806.46
IUPAC Name1-[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
SMILESCc1cc2c(cc1/C=C/c1ccc3c(c1)C(C)(C)C1=C3CCC(c3ccc(N4c5ccccc5CCC4C)cc3)=C1)C(C)(C)c1cc(N3c4ccccc4C=CC3(C)C)ccc1-2
InChIInChI=1S/C60H58N2/c1-38-33-51-50-30-27-47(62-57-16-12-10-14-43(57)31-32-58(62,3)4)37-55(50)60(7,8)54(51)35-44(38)21-18-40-19-28-48-49-29-24-45(36-53(49)59(5,6)52(48)34-40)41-22-25-46(26-23-41)61-39(2)17-20-42-13-9-11-15-56(42)61/h9-16,18-19,21-23,25-28,30-37,39H,17,20,24,29H2,1-8H3/b21-18+
InChIKeyUDOWDUDCYVJOEG-DYTRJAOYSA-N
XLogP15.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500807.14
LogP ≤ 515.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

1-[5-[2-[7-(2,2-dimethylquinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-2,2-dimethylquinoline
CID 91217577
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
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-[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
11-[7-[(E)-2-[5-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]benzo[b][1]benzazepine
CID 143984325
1-[4-[(E)-2-[7-(2,2-dimethylquinolin-1-yl)-9-methyl-9H-fluoren-2-yl]ethenyl]phenyl]-2,2-dimethylquinoline
CID 143984099
10-[7-[(E)-2-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]phenothiazine
CID 89071852
10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine
CID 89070887
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-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]triphenylen-2-yl]benzo[b][1]benzazepine
CID 90906407
11-[7-[(E)-2-[4-[4-(9,9-dimethylacridin-10-yl)-2-methylphenyl]-3-ethylphenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89071496
11-[7'-[2-(7-benzo[b][1]benzazepin-11-yl-9,9-dimethylfluoren-2-yl)ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]benzo[b][1]benzazepine
CID 91041022

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2c(cc1/C=C/c1ccc3c(c1)C(C)(C)C1=C3CCC(c3ccc(N4c5ccccc5CCC4C)cc3)=C1)C(C)(C)c1cc(N3c4ccccc4C=CC3(C)C)ccc1-2.
What is the InChIKey of 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?
The InChIKey is UDOWDUDCYVJOEG-DYTRJAOYSA-N. The full InChI is InChI=1S/C60H58N2/c1-38-33-51-50-30-27-47(62-57-16-12-10-14-43(57)31-32-58(62,3)4)37-55(50)60(7,8)54(51)35-44(38)21-18-40-19-28-48-49-29-24-45(36-53(49)59(5,6)52(48)34-40)41-22-25-46(26-23-41)61-39(2)17-20-42-13-9-11-15-56(42)61/h9-16,18-19,21-23,25-28,30-37,39H,17,20,24,29H2,1-8H3/b21-18+.
What are the key properties of 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?
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 has a molecular weight of 807.14 g/mol, XLogP of 15.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89070897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).