N-[2-[4-[(Z)-1,2-diphenylethenyl]phenyl]-3'-(1-phenylethenyl)spiro[fluorene-9,1'-indene]-2'-yl]-1-phenylethanimine

C57H41N — CID 129084475

IUPACN-[2-[4-[(Z)-1,2-diphenylethenyl]phenyl]-3'-(1-phenylethenyl)spiro[fluorene-9,1'-indene]-2'-yl]-1-phenylethanimine
SMILESC=C(C1=C(/N=C(/C)c2ccccc2)C2(c3ccccc31)c1ccccc1-c1ccc(-c3ccc(/C(=C\c4ccccc4)c4ccccc4)cc3)cc12)c1ccccc1
InChIInChI=1S/C57H41N/c1-39(42-21-9-4-10-22-42)55-50-28-16-18-30-53(50)57(56(55)58-40(2)43-23-11-5-12-24-43)52-29-17-15-27-48(52)49-36-35-47(38-54(49)57)44-31-33-46(34-32-44)51(45-25-13-6-14-26-45)37-41-19-7-3-8-20-41/h3-38H,1H2,2H3/b51-37-,58-40-
InChIKeyRCESIWHSBDFXQH-JESSNECUSA-N
MW739.96 g/mol
LogP14.20
Rot. Bonds8

About N-[2-[4-[(Z)-1,2-diphenylethenyl]phenyl]-3'-(1-phenylethenyl)spiro[fluorene-9,1'-indene]-2'-yl]-1-phenylethanimine

N-[2-[4-[(Z)-1,2-diphenylethenyl]phenyl]-3'-(1-phenylethenyl)spiro[fluorene-9,1'-indene]-2'-yl]-1-phenylethanimine (PubChem CID 129084475) has the molecular formula C57H41N and a molecular weight of 739.96 g/mol. Its IUPAC name is N-[2-[4-[(Z)-1,2-diphenylethenyl]phenyl]-3'-(1-phenylethenyl)spiro[fluorene-9,1'-indene]-2'-yl]-1-phenylethanimine.

Molecular Properties

Compound NameN-[2-[4-[(Z)-1,2-diphenylethenyl]phenyl]-3'-(1-phenylethenyl)spiro[fluorene-9,1'-indene]-2'-yl]-1-phenylethanimine
PubChem CID129084475
Molecular FormulaC57H41N
Molecular Weight739.96 g/mol
Exact Mass739.32
IUPAC NameN-[2-[4-[(Z)-1,2-diphenylethenyl]phenyl]-3'-(1-phenylethenyl)spiro[fluorene-9,1'-indene]-2'-yl]-1-phenylethanimine
SMILESC=C(C1=C(/N=C(/C)c2ccccc2)C2(c3ccccc31)c1ccccc1-c1ccc(-c3ccc(/C(=C\c4ccccc4)c4ccccc4)cc3)cc12)c1ccccc1
InChIInChI=1S/C57H41N/c1-39(42-21-9-4-10-22-42)55-50-28-16-18-30-53(50)57(56(55)58-40(2)43-23-11-5-12-24-43)52-29-17-15-27-48(52)49-36-35-47(38-54(49)57)44-31-33-46(34-32-44)51(45-25-13-6-14-26-45)37-41-19-7-3-8-20-41/h3-38H,1H2,2H3/b51-37-,58-40-
InChIKeyRCESIWHSBDFXQH-JESSNECUSA-N
XLogP14.20
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.96
LogP ≤ 514.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-diphenylethenyl)-9,9'-spirobi[fluorene]
CID 102477561
1-[(Z)-1,2-diphenylethenyl]-4-[4-[(Z)-1,2-diphenylethenyl]phenyl]benzene
CID 173002469
2,7-bis[4-(2,2-diphenylethenyl)phenyl]-6',7'-dimethylspiro[fluorene-9,4'-indeno[2,1-b]thiophene]
CID 58879555
2-[4-[(3Z)-penta-1,3-dien-2-yl]phenyl]-9,9'-spirobi[fluorene]
CID 144925252
2-[4-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]-9,9'-spirobi[fluorene];2'-[3-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]spiro[cyclohexane-1,9'-fluorene];2'-[3-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]spiro[cyclopentane-1,9'-fluorene];2'-[3-[10-[4-(2,2-diphenylethenyl)phenyl]anthracen-9-yl]phenyl]spiro[1,3-dihydroindene-2,9'-fluorene]
CID 158291973
2-(2,2-diphenylethenyl)-7-[4-[4-[4-(2,2-diphenylethenyl)phenyl]-3-(1,1-diphenylethyl)phenyl]phenyl]-9,9-diphenylfluorene
CID 18335705
2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 129150894
2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 118426846
9,9-bis[4-(4-chlorophenyl)phenyl]-2,7-bis(2,2-diphenylethenyl)fluorene
CID 22932221
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
1-[(E)-1,2-diphenylethenyl]-3-phenylbenzene
CID 121493700
3-[4-[(E)-2-[4-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenyl]-1-phenylethenyl]phenyl]-9-phenylcarbazole
CID 59236111

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(Z)-1,2-diphenylethenyl]phenyl]-3'-(1-phenylethenyl)spiro[fluorene-9,1'-indene]-2'-yl]-1-phenylethanimine?
The IUPAC name of N-[2-[4-[(Z)-1,2-diphenylethenyl]phenyl]-3'-(1-phenylethenyl)spiro[fluorene-9,1'-indene]-2'-yl]-1-phenylethanimine (CID 129084475) is N-[2-[4-[(Z)-1,2-diphenylethenyl]phenyl]-3'-(1-phenylethenyl)spiro[fluorene-9,1'-indene]-2'-yl]-1-phenylethanimine.
What is the SMILES notation for N-[2-[4-[(Z)-1,2-diphenylethenyl]phenyl]-3'-(1-phenylethenyl)spiro[fluorene-9,1'-indene]-2'-yl]-1-phenylethanimine?
The canonical SMILES for N-[2-[4-[(Z)-1,2-diphenylethenyl]phenyl]-3'-(1-phenylethenyl)spiro[fluorene-9,1'-indene]-2'-yl]-1-phenylethanimine is C=C(C1=C(/N=C(/C)c2ccccc2)C2(c3ccccc31)c1ccccc1-c1ccc(-c3ccc(/C(=C\c4ccccc4)c4ccccc4)cc3)cc12)c1ccccc1.
What is the InChIKey of N-[2-[4-[(Z)-1,2-diphenylethenyl]phenyl]-3'-(1-phenylethenyl)spiro[fluorene-9,1'-indene]-2'-yl]-1-phenylethanimine?
The InChIKey is RCESIWHSBDFXQH-JESSNECUSA-N. The full InChI is InChI=1S/C57H41N/c1-39(42-21-9-4-10-22-42)55-50-28-16-18-30-53(50)57(56(55)58-40(2)43-23-11-5-12-24-43)52-29-17-15-27-48(52)49-36-35-47(38-54(49)57)44-31-33-46(34-32-44)51(45-25-13-6-14-26-45)37-41-19-7-3-8-20-41/h3-38H,1H2,2H3/b51-37-,58-40-.
What are the key properties of N-[2-[4-[(Z)-1,2-diphenylethenyl]phenyl]-3'-(1-phenylethenyl)spiro[fluorene-9,1'-indene]-2'-yl]-1-phenylethanimine?
N-[2-[4-[(Z)-1,2-diphenylethenyl]phenyl]-3'-(1-phenylethenyl)spiro[fluorene-9,1'-indene]-2'-yl]-1-phenylethanimine has a molecular weight of 739.96 g/mol, XLogP of 14.20, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(Z)-1,2-diphenylethenyl]phenyl]-3'-(1-phenylethenyl)spiro[fluorene-9,1'-indene]-2'-yl]-1-phenylethanimine is sourced from PubChem (CID 129084475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).