1-[4-[(E)-2-[7-(2,2-dimethylquinolin-1-yl)-9-methyl-9H-fluoren-2-yl]ethenyl]phenyl]-2,2-dimethylquinoline

C44H40N2 — CID 143984099

IUPAC1-[4-[(E)-2-[7-(2,2-dimethylquinolin-1-yl)-9-methyl-9H-fluoren-2-yl]ethenyl]phenyl]-2,2-dimethylquinoline
SMILESCC1c2cc(/C=C/c3ccc(N4c5ccccc5C=CC4(C)C)cc3)ccc2-c2ccc(N3c4ccccc4C=CC3(C)C)cc21
InChIInChI=1S/C44H40N2/c1-30-39-28-32(15-14-31-16-19-35(20-17-31)45-41-12-8-6-10-33(41)24-26-43(45,2)3)18-22-37(39)38-23-21-36(29-40(30)38)46-42-13-9-7-11-34(42)25-27-44(46,4)5/h6-30H,1-5H3/b15-14+
InChIKeyVZXQUHSRMASIAG-CCEZHUSRSA-N
MW596.82 g/mol
LogP11.88
Rot. Bonds4

About 1-[4-[(E)-2-[7-(2,2-dimethylquinolin-1-yl)-9-methyl-9H-fluoren-2-yl]ethenyl]phenyl]-2,2-dimethylquinoline

1-[4-[(E)-2-[7-(2,2-dimethylquinolin-1-yl)-9-methyl-9H-fluoren-2-yl]ethenyl]phenyl]-2,2-dimethylquinoline (PubChem CID 143984099) has the molecular formula C44H40N2 and a molecular weight of 596.82 g/mol. Its IUPAC name is 1-[4-[(E)-2-[7-(2,2-dimethylquinolin-1-yl)-9-methyl-9H-fluoren-2-yl]ethenyl]phenyl]-2,2-dimethylquinoline.

Molecular Properties

Compound Name1-[4-[(E)-2-[7-(2,2-dimethylquinolin-1-yl)-9-methyl-9H-fluoren-2-yl]ethenyl]phenyl]-2,2-dimethylquinoline
PubChem CID143984099
Molecular FormulaC44H40N2
Molecular Weight596.82 g/mol
Exact Mass596.32
IUPAC Name1-[4-[(E)-2-[7-(2,2-dimethylquinolin-1-yl)-9-methyl-9H-fluoren-2-yl]ethenyl]phenyl]-2,2-dimethylquinoline
SMILESCC1c2cc(/C=C/c3ccc(N4c5ccccc5C=CC4(C)C)cc3)ccc2-c2ccc(N3c4ccccc4C=CC3(C)C)cc21
InChIInChI=1S/C44H40N2/c1-30-39-28-32(15-14-31-16-19-35(20-17-31)45-41-12-8-6-10-33(41)24-26-43(45,2)3)18-22-37(39)38-23-21-36(29-40(30)38)46-42-13-9-7-11-34(42)25-27-44(46,4)5/h6-30H,1-5H3/b15-14+
InChIKeyVZXQUHSRMASIAG-CCEZHUSRSA-N
XLogP11.88
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.82
LogP ≤ 511.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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-[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
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
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-[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
10-[7-[2-[4-(4-benzo[b][1]benzazepin-11-ylnaphthalen-1-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-5,5-dimethylphenothiazine
CID 91615182
5-[7-[(E)-2-[4-(4-benzo[b][1]benzazepin-11-yl-6-methylcyclohexa-2,4-dien-1-yl)-3-propan-2-ylphenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 89071953
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
2-ethenyl-9-methyl-9H-fluorene
CID 101119570
10-[4-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]phenyl]-9H-acridine
CID 89070887
1-[4-[(E)-2-[4-[4-(2,2-dimethyl-5,6-dihydroquinolin-1-yl)-6-methylcyclohexa-2,4-dien-1-yl]-3-propan-2-ylphenyl]ethenyl]naphthalen-1-yl]-2,2-dimethylquinoline
CID 89071535
9-methyl-7-[2-[4-(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)phenyl]ethenyl]-N,N-diphenyl-9H-fluoren-2-amine
CID 91499198

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-[7-(2,2-dimethylquinolin-1-yl)-9-methyl-9H-fluoren-2-yl]ethenyl]phenyl]-2,2-dimethylquinoline?
The IUPAC name of 1-[4-[(E)-2-[7-(2,2-dimethylquinolin-1-yl)-9-methyl-9H-fluoren-2-yl]ethenyl]phenyl]-2,2-dimethylquinoline (CID 143984099) is 1-[4-[(E)-2-[7-(2,2-dimethylquinolin-1-yl)-9-methyl-9H-fluoren-2-yl]ethenyl]phenyl]-2,2-dimethylquinoline.
What is the SMILES notation for 1-[4-[(E)-2-[7-(2,2-dimethylquinolin-1-yl)-9-methyl-9H-fluoren-2-yl]ethenyl]phenyl]-2,2-dimethylquinoline?
The canonical SMILES for 1-[4-[(E)-2-[7-(2,2-dimethylquinolin-1-yl)-9-methyl-9H-fluoren-2-yl]ethenyl]phenyl]-2,2-dimethylquinoline is CC1c2cc(/C=C/c3ccc(N4c5ccccc5C=CC4(C)C)cc3)ccc2-c2ccc(N3c4ccccc4C=CC3(C)C)cc21.
What is the InChIKey of 1-[4-[(E)-2-[7-(2,2-dimethylquinolin-1-yl)-9-methyl-9H-fluoren-2-yl]ethenyl]phenyl]-2,2-dimethylquinoline?
The InChIKey is VZXQUHSRMASIAG-CCEZHUSRSA-N. The full InChI is InChI=1S/C44H40N2/c1-30-39-28-32(15-14-31-16-19-35(20-17-31)45-41-12-8-6-10-33(41)24-26-43(45,2)3)18-22-37(39)38-23-21-36(29-40(30)38)46-42-13-9-7-11-34(42)25-27-44(46,4)5/h6-30H,1-5H3/b15-14+.
What are the key properties of 1-[4-[(E)-2-[7-(2,2-dimethylquinolin-1-yl)-9-methyl-9H-fluoren-2-yl]ethenyl]phenyl]-2,2-dimethylquinoline?
1-[4-[(E)-2-[7-(2,2-dimethylquinolin-1-yl)-9-methyl-9H-fluoren-2-yl]ethenyl]phenyl]-2,2-dimethylquinoline has a molecular weight of 596.82 g/mol, XLogP of 11.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-[7-(2,2-dimethylquinolin-1-yl)-9-methyl-9H-fluoren-2-yl]ethenyl]phenyl]-2,2-dimethylquinoline is sourced from PubChem (CID 143984099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).