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

C60H58N2 — CID 91445519

IUPAC1-[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
SMILESCC1(C)c2cc(C=Cc3ccc4c(c3)C(C)(C)c3cc(N5c6ccccc6CCC5(C)C)ccc3-4)ccc2-c2ccc(-c3ccc(N4c5ccccc5CCC4(C)C)cc3)cc21
InChIInChI=1S/C60H58N2/c1-57(2)33-31-42-13-9-11-15-55(42)61(57)45-24-21-41(22-25-45)44-23-29-49-47-27-19-39(35-51(47)59(5,6)53(49)37-44)17-18-40-20-28-48-50-30-26-46(38-54(50)60(7,8)52(48)36-40)62-56-16-12-10-14-43(56)32-34-58(62,3)4/h9-30,35-38H,31-34H2,1-8H3
InChIKeyDOYWOQYSGPCMOC-UHFFFAOYSA-N
MW807.14 g/mol
LogP15.86
Rot. Bonds5

About 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

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 (PubChem CID 91445519) has the molecular formula C60H58N2 and a molecular weight of 807.14 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID91445519
Molecular FormulaC60H58N2
Molecular Weight807.14 g/mol
Exact Mass806.46
IUPAC Name1-[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
SMILESCC1(C)c2cc(C=Cc3ccc4c(c3)C(C)(C)c3cc(N5c6ccccc6CCC5(C)C)ccc3-4)ccc2-c2ccc(-c3ccc(N4c5ccccc5CCC4(C)C)cc3)cc21
InChIInChI=1S/C60H58N2/c1-57(2)33-31-42-13-9-11-15-55(42)61(57)45-24-21-41(22-25-45)44-23-29-49-47-27-19-39(35-51(47)59(5,6)53(49)37-44)17-18-40-20-28-48-50-30-26-46(38-54(50)60(7,8)52(48)36-40)62-56-16-12-10-14-43(56)32-34-58(62,3)4/h9-30,35-38H,31-34H2,1-8H3
InChIKeyDOYWOQYSGPCMOC-UHFFFAOYSA-N
XLogP15.86
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 ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

1-[7-[(E)-2-[4-[6-(3,4-dihydro-2H-quinolin-1-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-2,2-dimethyl-3,4-dihydroquinoline
CID 89071725
10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine
CID 89070887
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-[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
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'-(3,4-dihydro-2H-quinolin-1-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]phenyl]phenyl]-9,9-dimethylacridine
CID 89071707
10-[7-[(E)-2-[7-[4-(9,9-dimethylacridin-10-yl)phenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]-1,9,9-trimethylacridine
CID 89071052
9,9-dimethyl-2,7-bis[4-[(E)-2-phenylethenyl]phenyl]fluorene
CID 59217271
10-[4-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-9,9-dimethylacridine
CID 91237807
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
9,9-dimethyl-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]-7-(5,6,7,8-tetrahydronaphthalen-2-yl)fluorene
CID 59217196

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2cc(C=Cc3ccc4c(c3)C(C)(C)c3cc(N5c6ccccc6CCC5(C)C)ccc3-4)ccc2-c2ccc(-c3ccc(N4c5ccccc5CCC4(C)C)cc3)cc21.
What is the InChIKey of 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?
The InChIKey is DOYWOQYSGPCMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H58N2/c1-57(2)33-31-42-13-9-11-15-55(42)61(57)45-24-21-41(22-25-45)44-23-29-49-47-27-19-39(35-51(47)59(5,6)53(49)37-44)17-18-40-20-28-48-50-30-26-46(38-54(50)60(7,8)52(48)36-40)62-56-16-12-10-14-43(56)32-34-58(62,3)4/h9-30,35-38H,31-34H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 807.14 g/mol, XLogP of 15.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 91445519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).