N-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-2'-ethenyl-N-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-3-amine

C56H47N — CID 156821324

IUPACN-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-2'-ethenyl-N-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-3-amine
SMILESC=CC1=C(/C=C\C)c2ccccc2C12c1ccccc1-c1cc(N(C3=CC(c4ccccc4)=CC(c4ccccc4)C3)c3ccccc3C(/C=C\C)=C/C)ccc12
InChIInChI=1S/C56H47N/c1-5-21-39(7-3)46-27-17-20-32-55(46)57(45-36-42(40-23-11-9-12-24-40)35-43(37-45)41-25-13-10-14-26-41)44-33-34-54-50(38-44)49-29-16-19-31-53(49)56(54)51(8-4)47(22-6-2)48-28-15-18-30-52(48)56/h5-36,38,43H,4,37H2,1-3H3/b21-5-,22-6-,39-7+
InChIKeyNIYNMMJKZHTVEE-FGTCZNFZSA-N
MW734.00 g/mol
LogP14.80
Rot. Bonds9

About N-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-2'-ethenyl-N-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-3-amine

N-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-2'-ethenyl-N-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-3-amine (PubChem CID 156821324) has the molecular formula C56H47N and a molecular weight of 734.00 g/mol. Its IUPAC name is N-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-2'-ethenyl-N-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-3-amine.

Molecular Properties

Compound NameN-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-2'-ethenyl-N-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-3-amine
PubChem CID156821324
Molecular FormulaC56H47N
Molecular Weight734.00 g/mol
Exact Mass733.37
IUPAC NameN-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-2'-ethenyl-N-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-3-amine
SMILESC=CC1=C(/C=C\C)c2ccccc2C12c1ccccc1-c1cc(N(C3=CC(c4ccccc4)=CC(c4ccccc4)C3)c3ccccc3C(/C=C\C)=C/C)ccc12
InChIInChI=1S/C56H47N/c1-5-21-39(7-3)46-27-17-20-32-55(46)57(45-36-42(40-23-11-9-12-24-40)35-43(37-45)41-25-13-10-14-26-41)44-33-34-54-50(38-44)49-29-16-19-31-53(49)56(54)51(8-4)47(22-6-2)48-28-15-18-30-52(48)56/h5-36,38,43H,4,37H2,1-3H3/b21-5-,22-6-,39-7+
InChIKeyNIYNMMJKZHTVEE-FGTCZNFZSA-N
XLogP14.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.00
LogP ≤ 514.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-7-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 168750064
N-[2-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]phenyl]-N-[2,3,3-trimethyl-1-[(Z)-prop-1-enyl]inden-5-yl]-9,9'-spirobi[fluorene]-2-amine
CID 144663241
ethane;N-[1-ethenyl-3,3-dimethyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-[2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-3'-methyl-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
CID 145331751
1-ethenyl-3,3-dimethyl-N-(4-phenylphenyl)-2-[(Z)-prop-1-enyl]-N-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]inden-5-amine
CID 121463230
N-[1-ethenyl-3,3-diphenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-N-naphthalen-2-yl-9,9-diphenylfluoren-3-amine
CID 134491053
N-[4-[2-ethenyl-1-phenyl-3-[(Z)-prop-1-enyl]inden-1-yl]phenyl]-5,5-dimethyl-N-(4-phenylphenyl)benzo[b][1]benzosilol-2-amine
CID 174150949
N-(4-chlorophenyl)-3'-ethenyl-N-(4-phenylphenyl)-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
CID 144681311
2'-ethenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-2-amine
CID 167024948
9,9,10,10-tetramethyl-N-(5-methyl-3-phenylcyclohexa-1,3-dien-1-yl)-N-(9,9,10,10-tetramethylanthracen-2-yl)anthracen-2-amine
CID 163589369
N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]-3'-ethenyl-N-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-2'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-4-amine
CID 145271586
N-[3-cyclohexa-1,5-dien-1-yl-1-ethenyl-3-phenyl-2-[(Z)-prop-1-enyl]inden-5-yl]-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-3-amine
CID 142540910
N-[4-(4-methylcyclohexa-1,5-dien-1-yl)phenyl]-N-(2-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-amine
CID 146414763

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-2'-ethenyl-N-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-3-amine?
The IUPAC name of N-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-2'-ethenyl-N-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-3-amine (CID 156821324) is N-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-2'-ethenyl-N-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-3-amine.
What is the SMILES notation for N-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-2'-ethenyl-N-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-3-amine?
The canonical SMILES for N-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-2'-ethenyl-N-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-3-amine is C=CC1=C(/C=C\C)c2ccccc2C12c1ccccc1-c1cc(N(C3=CC(c4ccccc4)=CC(c4ccccc4)C3)c3ccccc3C(/C=C\C)=C/C)ccc12.
What is the InChIKey of N-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-2'-ethenyl-N-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-3-amine?
The InChIKey is NIYNMMJKZHTVEE-FGTCZNFZSA-N. The full InChI is InChI=1S/C56H47N/c1-5-21-39(7-3)46-27-17-20-32-55(46)57(45-36-42(40-23-11-9-12-24-40)35-43(37-45)41-25-13-10-14-26-41)44-33-34-54-50(38-44)49-29-16-19-31-53(49)56(54)51(8-4)47(22-6-2)48-28-15-18-30-52(48)56/h5-36,38,43H,4,37H2,1-3H3/b21-5-,22-6-,39-7+.
What are the key properties of N-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-2'-ethenyl-N-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-3-amine?
N-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-2'-ethenyl-N-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-3-amine has a molecular weight of 734.00 g/mol, XLogP of 14.80, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diphenylcyclohexa-1,3-dien-1-yl)-2'-ethenyl-N-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]-3'-[(Z)-prop-1-enyl]spiro[fluorene-9,1'-indene]-3-amine is sourced from PubChem (CID 156821324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).