1-[5-[2-[7-(2,2-dimethylquinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-2,2-dimethylquinoline

C49H44N2 — CID 91217577

IUPAC1-[5-[2-[7-(2,2-dimethylquinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-2,2-dimethylquinoline
SMILESCC1(C)c2cc(C=Cc3cccc4c(N5c6ccccc6C=CC5(C)C)cccc34)ccc2-c2ccc(N3c4ccccc4C=CC3(C)C)cc21
InChIInChI=1S/C49H44N2/c1-47(2)29-27-35-13-7-9-18-44(35)50(47)37-24-26-40-39-25-22-33(31-42(39)49(5,6)43(40)32-37)21-23-34-15-11-17-41-38(34)16-12-20-46(41)51-45-19-10-8-14-36(45)28-30-48(51,3)4/h7-32H,1-6H3
InChIKeyBGKGDBFHQIFUIP-UHFFFAOYSA-N
MW660.91 g/mol
LogP13.20
Rot. Bonds4

About 1-[5-[2-[7-(2,2-dimethylquinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-2,2-dimethylquinoline

1-[5-[2-[7-(2,2-dimethylquinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-2,2-dimethylquinoline (PubChem CID 91217577) has the molecular formula C49H44N2 and a molecular weight of 660.91 g/mol. Its IUPAC name is 1-[5-[2-[7-(2,2-dimethylquinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-2,2-dimethylquinoline.

Molecular Properties

Compound Name1-[5-[2-[7-(2,2-dimethylquinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-2,2-dimethylquinoline
PubChem CID91217577
Molecular FormulaC49H44N2
Molecular Weight660.91 g/mol
Exact Mass660.35
IUPAC Name1-[5-[2-[7-(2,2-dimethylquinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-2,2-dimethylquinoline
SMILESCC1(C)c2cc(C=Cc3cccc4c(N5c6ccccc6C=CC5(C)C)cccc34)ccc2-c2ccc(N3c4ccccc4C=CC3(C)C)cc21
InChIInChI=1S/C49H44N2/c1-47(2)29-27-35-13-7-9-18-44(35)50(47)37-24-26-40-39-25-22-33(31-42(39)49(5,6)43(40)32-37)21-23-34-15-11-17-41-38(34)16-12-20-46(41)51-45-19-10-8-14-36(45)28-30-48(51,3)4/h7-32H,1-6H3
InChIKeyBGKGDBFHQIFUIP-UHFFFAOYSA-N
XLogP13.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.91
LogP ≤ 513.20
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

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-[5-[2-[7-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-4,4-dimethyl-2,3-dihydroquinoline
CID 91209856
10-[9,9-dimethyl-7-[(E)-2-(12-phenoxazin-10-ylchrysen-6-yl)ethenyl]fluoren-2-yl]phenoxazine
CID 89071771
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-[2-[4-(4-benzo[b][1]benzazepin-11-ylnaphthalen-1-yl)phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]-5,5-dimethylphenothiazine
CID 91615182
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-[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-[4-[4-[2-(9,9-dimethyl-7-phenoxazin-10-ylfluoren-2-yl)ethenyl]phenyl]naphthalen-1-yl]phenoxazine
CID 90764809
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-[(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
3-[4-[(E)-2-[9,9-dimethyl-7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)naphthalen-1-yl]ethenyl]fluoren-2-yl]ethenyl]naphthalen-1-yl]-9-naphthalen-2-ylcarbazole
CID 59236161

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[7-(2,2-dimethylquinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-2,2-dimethylquinoline?
The IUPAC name of 1-[5-[2-[7-(2,2-dimethylquinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-2,2-dimethylquinoline (CID 91217577) is 1-[5-[2-[7-(2,2-dimethylquinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-2,2-dimethylquinoline.
What is the SMILES notation for 1-[5-[2-[7-(2,2-dimethylquinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-2,2-dimethylquinoline?
The canonical SMILES for 1-[5-[2-[7-(2,2-dimethylquinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-2,2-dimethylquinoline is CC1(C)c2cc(C=Cc3cccc4c(N5c6ccccc6C=CC5(C)C)cccc34)ccc2-c2ccc(N3c4ccccc4C=CC3(C)C)cc21.
What is the InChIKey of 1-[5-[2-[7-(2,2-dimethylquinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-2,2-dimethylquinoline?
The InChIKey is BGKGDBFHQIFUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H44N2/c1-47(2)29-27-35-13-7-9-18-44(35)50(47)37-24-26-40-39-25-22-33(31-42(39)49(5,6)43(40)32-37)21-23-34-15-11-17-41-38(34)16-12-20-46(41)51-45-19-10-8-14-36(45)28-30-48(51,3)4/h7-32H,1-6H3.
What are the key properties of 1-[5-[2-[7-(2,2-dimethylquinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-2,2-dimethylquinoline?
1-[5-[2-[7-(2,2-dimethylquinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-2,2-dimethylquinoline has a molecular weight of 660.91 g/mol, XLogP of 13.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[7-(2,2-dimethylquinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-2,2-dimethylquinoline is sourced from PubChem (CID 91217577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).