(2Z)-1-[6-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-1,2-dihydroquinolin-2-yl]penta-2,4-dien-1-imine

C55H40N2 — CID 129302327

IUPAC(2Z)-1-[6-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-1,2-dihydroquinolin-2-yl]penta-2,4-dien-1-imine
SMILES[H]/N=C(\C=C/C=C)C1C=C(c2ccccc2)c2cc(-c3ccc4cc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)ccc4c3)ccc2N1
InChIInChI=1S/C55H40N2/c1-2-3-23-52(56)54-36-48(37-15-7-4-8-16-37)49-34-42(29-31-53(49)57-54)40-26-24-39-33-41(27-25-38(39)32-40)43-28-30-47-46-21-13-14-22-50(46)55(51(47)35-43,44-17-9-5-10-18-44)45-19-11-6-12-20-45/h2-36,54,56-57H,1H2/b23-3-,56-52+
InChIKeyNWAZWXDGPJQHNJ-GXAPCDRUSA-N
MW728.94 g/mol
LogP13.52
Rot. Bonds8

About (2Z)-1-[6-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-1,2-dihydroquinolin-2-yl]penta-2,4-dien-1-imine

(2Z)-1-[6-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-1,2-dihydroquinolin-2-yl]penta-2,4-dien-1-imine (PubChem CID 129302327) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is (2Z)-1-[6-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-1,2-dihydroquinolin-2-yl]penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-1-[6-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-1,2-dihydroquinolin-2-yl]penta-2,4-dien-1-imine
PubChem CID129302327
Molecular FormulaC55H40N2
Molecular Weight728.94 g/mol
Exact Mass728.32
IUPAC Name(2Z)-1-[6-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-1,2-dihydroquinolin-2-yl]penta-2,4-dien-1-imine
SMILES[H]/N=C(\C=C/C=C)C1C=C(c2ccccc2)c2cc(-c3ccc4cc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)ccc4c3)ccc2N1
InChIInChI=1S/C55H40N2/c1-2-3-23-52(56)54-36-48(37-15-7-4-8-16-37)49-34-42(29-31-53(49)57-54)40-26-24-39-33-41(27-25-38(39)32-40)43-28-30-47-46-21-13-14-22-50(46)55(51(47)35-43,44-17-9-5-10-18-44)45-19-11-6-12-20-45/h2-36,54,56-57H,1H2/b23-3-,56-52+
InChIKeyNWAZWXDGPJQHNJ-GXAPCDRUSA-N
XLogP13.52
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.94
LogP ≤ 513.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z)-1-[6-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-1,2-dihydroquinolin-2-yl]penta-2,4-dien-1-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z)-1-[6-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-1,2-dihydroquinolin-2-yl]penta-2,4-dien-1-imine?
The IUPAC name of (2Z)-1-[6-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-1,2-dihydroquinolin-2-yl]penta-2,4-dien-1-imine (CID 129302327) is (2Z)-1-[6-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-1,2-dihydroquinolin-2-yl]penta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-1-[6-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-1,2-dihydroquinolin-2-yl]penta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-1-[6-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-1,2-dihydroquinolin-2-yl]penta-2,4-dien-1-imine is [H]/N=C(\C=C/C=C)C1C=C(c2ccccc2)c2cc(-c3ccc4cc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)ccc4c3)ccc2N1.
What is the InChIKey of (2Z)-1-[6-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-1,2-dihydroquinolin-2-yl]penta-2,4-dien-1-imine?
The InChIKey is NWAZWXDGPJQHNJ-GXAPCDRUSA-N. The full InChI is InChI=1S/C55H40N2/c1-2-3-23-52(56)54-36-48(37-15-7-4-8-16-37)49-34-42(29-31-53(49)57-54)40-26-24-39-33-41(27-25-38(39)32-40)43-28-30-47-46-21-13-14-22-50(46)55(51(47)35-43,44-17-9-5-10-18-44)45-19-11-6-12-20-45/h2-36,54,56-57H,1H2/b23-3-,56-52+.
What are the key properties of (2Z)-1-[6-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-1,2-dihydroquinolin-2-yl]penta-2,4-dien-1-imine?
(2Z)-1-[6-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-1,2-dihydroquinolin-2-yl]penta-2,4-dien-1-imine has a molecular weight of 728.94 g/mol, XLogP of 13.52, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-[6-[6-(9,9-diphenylfluoren-2-yl)naphthalen-2-yl]-4-phenyl-1,2-dihydroquinolin-2-yl]penta-2,4-dien-1-imine is sourced from PubChem (CID 129302327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).