7'-[(E)-2-[5-(10-phenylphenazin-5-yl)naphthalen-1-yl]ethenyl]-N-(2-propylcyclohexa-1,3-dien-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine

C60H49N3 — CID 89071983

IUPAC7'-[(E)-2-[5-(10-phenylphenazin-5-yl)naphthalen-1-yl]ethenyl]-N-(2-propylcyclohexa-1,3-dien-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
SMILESCCCC1=C(Nc2ccc3c(c2)C2(Cc4ccccc4C2)c2cc(/C=C/c4cccc5c(N6c7ccccc7N(c7ccccc7)c7ccccc76)cccc45)ccc2-3)CCC=C1
InChIInChI=1S/C60H49N3/c1-2-16-43-17-8-9-25-54(43)61-46-34-36-50-49-35-32-41(37-52(49)60(53(50)38-46)39-44-18-6-7-19-45(44)40-60)31-33-42-20-14-24-51-48(42)23-15-30-55(51)63-58-28-12-10-26-56(58)62(47-21-4-3-5-22-47)57-27-11-13-29-59(57)63/h3-8,10-15,17-24,26-38,61H,2,9,16,25,39-40H2,1H3/b33-31+
InChIKeyALEWCCCYCWPVKS-QOSDPKFLSA-N
MW812.07 g/mol
LogP16.14
Rot. Bonds8

About 7'-[(E)-2-[5-(10-phenylphenazin-5-yl)naphthalen-1-yl]ethenyl]-N-(2-propylcyclohexa-1,3-dien-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine

7'-[(E)-2-[5-(10-phenylphenazin-5-yl)naphthalen-1-yl]ethenyl]-N-(2-propylcyclohexa-1,3-dien-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine (PubChem CID 89071983) has the molecular formula C60H49N3 and a molecular weight of 812.07 g/mol. Its IUPAC name is 7'-[(E)-2-[5-(10-phenylphenazin-5-yl)naphthalen-1-yl]ethenyl]-N-(2-propylcyclohexa-1,3-dien-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine.

Molecular Properties

Compound Name7'-[(E)-2-[5-(10-phenylphenazin-5-yl)naphthalen-1-yl]ethenyl]-N-(2-propylcyclohexa-1,3-dien-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
PubChem CID89071983
Molecular FormulaC60H49N3
Molecular Weight812.07 g/mol
Exact Mass811.39
IUPAC Name7'-[(E)-2-[5-(10-phenylphenazin-5-yl)naphthalen-1-yl]ethenyl]-N-(2-propylcyclohexa-1,3-dien-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
SMILESCCCC1=C(Nc2ccc3c(c2)C2(Cc4ccccc4C2)c2cc(/C=C/c4cccc5c(N6c7ccccc7N(c7ccccc7)c7ccccc76)cccc45)ccc2-3)CCC=C1
InChIInChI=1S/C60H49N3/c1-2-16-43-17-8-9-25-54(43)61-46-34-36-50-49-35-32-41(37-52(49)60(53(50)38-46)39-44-18-6-7-19-45(44)40-60)31-33-42-20-14-24-51-48(42)23-15-30-55(51)63-58-28-12-10-26-56(58)62(47-21-4-3-5-22-47)57-27-11-13-29-59(57)63/h3-8,10-15,17-24,26-38,61H,2,9,16,25,39-40H2,1H3/b33-31+
InChIKeyALEWCCCYCWPVKS-QOSDPKFLSA-N
XLogP16.14
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.07
LogP ≤ 516.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7'-[(E)-2-[5-(10-phenylphenazin-5-yl)naphthalen-1-yl]ethenyl]-N-(2-propylcyclohexa-1,3-dien-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine with MolForge

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Related Compounds

11-[5-[(E)-2-[7'-(5,6,9,10-tetrahydrobenzo[b][1]benzazepin-11-yl)spiro[1,3,4,5-tetrahydroindene-2,9'-fluorene]-2'-yl]ethenyl]naphthalen-1-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 89070945
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
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
5-[4-[2-[7'-(3,4-dihydro-2H-quinolin-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]naphthalen-1-yl]spiro[benzo[b][1,4]benzazasiline-10,1'-silolane]
CID 91022662
10-[7'-[(E)-2-[7'-(2,9-dihydro-1H-acridin-10-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]spiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]-9H-acridine
CID 89071765
10-[5-[(E)-2-[7'-(1,2-dihydrophenothiazin-10-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]naphthalen-1-yl]phenothiazine
CID 89071516
5-[4-[(E)-2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]-10-phenyl-1,2-dihydrophenazine
CID 89071084
10-[4-[(E)-2-[7'-(3,4-dihydrophenoxazin-10-yl)-1'-methylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-yl]ethenyl]phenyl]phenoxazine
CID 89070802
ethane;5-methyl-10-[7'-[(E)-2-[4-[4-(10-phenylphenazin-5-yl)naphthalen-1-yl]phenyl]ethenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenazine
CID 143984217
7-[(E)-2-[7'-(9H-acridin-10-yl)spiro[cyclopentane-1,9'-fluorene]-2'-yl]ethenyl]-N-(2-ethylphenyl)-9,9-dimethylfluoren-2-amine;(1Z,3Z)-cycloocta-1,3-diene;ethane
CID 143984399
10-[5-[2-[7-(9H-acridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]naphthalen-1-yl]-9-[[10-[7-[2-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethylfluoren-2-yl]ethenyl]-2,9,9-trimethyl-1H-fluoren-2-yl]-9H-acridin-1-yl]methyl]-9-methylacridine
CID 91291500
10-[7-[(E)-2-[4-[10-(cyclohexen-1-yl)phenazin-5-yl]naphthalen-1-yl]ethenyl]-9,9-dimethylfluoren-2-yl]phenothiazine
CID 89071110

Frequently Asked Questions

What is the IUPAC name of 7'-[(E)-2-[5-(10-phenylphenazin-5-yl)naphthalen-1-yl]ethenyl]-N-(2-propylcyclohexa-1,3-dien-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine?
The IUPAC name of 7'-[(E)-2-[5-(10-phenylphenazin-5-yl)naphthalen-1-yl]ethenyl]-N-(2-propylcyclohexa-1,3-dien-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine (CID 89071983) is 7'-[(E)-2-[5-(10-phenylphenazin-5-yl)naphthalen-1-yl]ethenyl]-N-(2-propylcyclohexa-1,3-dien-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine.
What is the SMILES notation for 7'-[(E)-2-[5-(10-phenylphenazin-5-yl)naphthalen-1-yl]ethenyl]-N-(2-propylcyclohexa-1,3-dien-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine?
The canonical SMILES for 7'-[(E)-2-[5-(10-phenylphenazin-5-yl)naphthalen-1-yl]ethenyl]-N-(2-propylcyclohexa-1,3-dien-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine is CCCC1=C(Nc2ccc3c(c2)C2(Cc4ccccc4C2)c2cc(/C=C/c4cccc5c(N6c7ccccc7N(c7ccccc7)c7ccccc76)cccc45)ccc2-3)CCC=C1.
What is the InChIKey of 7'-[(E)-2-[5-(10-phenylphenazin-5-yl)naphthalen-1-yl]ethenyl]-N-(2-propylcyclohexa-1,3-dien-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine?
The InChIKey is ALEWCCCYCWPVKS-QOSDPKFLSA-N. The full InChI is InChI=1S/C60H49N3/c1-2-16-43-17-8-9-25-54(43)61-46-34-36-50-49-35-32-41(37-52(49)60(53(50)38-46)39-44-18-6-7-19-45(44)40-60)31-33-42-20-14-24-51-48(42)23-15-30-55(51)63-58-28-12-10-26-56(58)62(47-21-4-3-5-22-47)57-27-11-13-29-59(57)63/h3-8,10-15,17-24,26-38,61H,2,9,16,25,39-40H2,1H3/b33-31+.
What are the key properties of 7'-[(E)-2-[5-(10-phenylphenazin-5-yl)naphthalen-1-yl]ethenyl]-N-(2-propylcyclohexa-1,3-dien-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine?
7'-[(E)-2-[5-(10-phenylphenazin-5-yl)naphthalen-1-yl]ethenyl]-N-(2-propylcyclohexa-1,3-dien-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine has a molecular weight of 812.07 g/mol, XLogP of 16.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-[(E)-2-[5-(10-phenylphenazin-5-yl)naphthalen-1-yl]ethenyl]-N-(2-propylcyclohexa-1,3-dien-1-yl)spiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine is sourced from PubChem (CID 89071983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).