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

C49H48N2 — CID 91209856

IUPAC1-[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
SMILESCC1(C)CCN(c2ccc3c(c2)C(C)(C)c2cc(C=Cc4cccc5c(N6CCC(C)(C)c7ccccc76)cccc45)ccc2-3)c2ccccc21
InChIInChI=1S/C49H48N2/c1-47(2)27-29-50(45-18-9-7-16-40(45)47)35-24-26-38-37-25-22-33(31-42(37)49(5,6)43(38)32-35)21-23-34-13-11-15-39-36(34)14-12-20-44(39)51-30-28-48(3,4)41-17-8-10-19-46(41)51/h7-26,31-32H,27-30H2,1-6H3
InChIKeyPWRBYBOARALZBQ-UHFFFAOYSA-N
MW664.94 g/mol
LogP12.96
Rot. Bonds4

About 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

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 (PubChem CID 91209856) has the molecular formula C49H48N2 and a molecular weight of 664.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID91209856
Molecular FormulaC49H48N2
Molecular Weight664.94 g/mol
Exact Mass664.38
IUPAC Name1-[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
SMILESCC1(C)CCN(c2ccc3c(c2)C(C)(C)c2cc(C=Cc4cccc5c(N6CCC(C)(C)c7ccccc76)cccc45)ccc2-3)c2ccccc21
InChIInChI=1S/C49H48N2/c1-47(2)27-29-50(45-18-9-7-16-40(45)47)35-24-26-38-37-25-22-33(31-42(37)49(5,6)43(38)32-35)21-23-34-13-11-15-39-36(34)14-12-20-44(39)51-30-28-48(3,4)41-17-8-10-19-46(41)51/h7-26,31-32H,27-30H2,1-6H3
InChIKeyPWRBYBOARALZBQ-UHFFFAOYSA-N
XLogP12.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.94
LogP ≤ 512.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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-(2,2-dimethylquinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-2,2-dimethylquinoline
CID 91217577
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
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
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
10-[9,9-dimethyl-7-[(E)-2-(12-phenoxazin-10-ylchrysen-6-yl)ethenyl]fluoren-2-yl]phenoxazine
CID 89071771
10-[7'-[(E)-2-[4-[6-(9,9-dimethylacridin-10-yl)naphthalen-2-yl]naphthalen-1-yl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]-9,9-dimethylacridine
CID 89071491
5-[5-[(E)-2-[7-[2-ethenyl-3-[(Z)-prop-1-enyl]-4H-quinolin-1-yl]-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-10-phenylphenazine
CID 89071833
10-[7-[(E)-2-[4-[10-(cyclohexen-1-yl)phenazin-5-yl]naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenothiazine
CID 89071110
5-[6-[4-[2-[7-(3,4-dihydro-2H-quinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]naphthalen-2-yl]-6H-benzo[b][1,4]benzothiazepine
CID 90923808
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)CCN(c2ccc3c(c2)C(C)(C)c2cc(C=Cc4cccc5c(N6CCC(C)(C)c7ccccc76)cccc45)ccc2-3)c2ccccc21.
What is the InChIKey of 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?
The InChIKey is PWRBYBOARALZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H48N2/c1-47(2)27-29-50(45-18-9-7-16-40(45)47)35-24-26-38-37-25-22-33(31-42(37)49(5,6)43(38)32-35)21-23-34-13-11-15-39-36(34)14-12-20-44(39)51-30-28-48(3,4)41-17-8-10-19-46(41)51/h7-26,31-32H,27-30H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 664.94 g/mol, XLogP of 12.96, 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-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-4,4-dimethyl-2,3-dihydroquinoline is sourced from PubChem (CID 91209856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).