N-[(Z)-3-[5'-[(E)-2-[4-(3,6-diphenyl-4-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2(7),3,5,8,10,12,15,18-nonaenyl)phenyl]ethenyl]-2'-methylspiro[1,3-dihydroindene-2,3'-indene]-1'-yl]prop-2-enyl]-N-phenylaniline

C72H55N — CID 143983916

IUPACN-[(Z)-3-[5'-[(E)-2-[4-(3,6-diphenyl-4-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2(7),3,5,8,10,12,15,18-nonaenyl)phenyl]ethenyl]-2'-methylspiro[1,3-dihydroindene-2,3'-indene]-1'-yl]prop-2-enyl]-N-phenylaniline
SMILESCC1=C(/C=C\CN(c2ccccc2)c2ccccc2)c2ccc(/C=C/c3ccc(-c4cc(-c5ccccc5)c5c(c6c(c7ccccc75)C=CCC=C6)c4-c4ccccc4)cc3)cc2C12Cc1ccccc1C2
InChIInChI=1S/C72H55N/c1-50-60(36-21-45-73(58-28-11-4-12-29-58)59-30-13-5-14-31-59)63-44-41-52(46-68(63)72(50)48-56-26-17-18-27-57(56)49-72)38-37-51-39-42-54(43-40-51)66-47-67(53-22-7-2-8-23-53)70-64-35-20-19-33-61(64)62-32-15-6-16-34-65(62)71(70)69(66)55-24-9-3-10-25-55/h2-5,7-44,46-47H,6,45,48-49H2,1H3/b36-21-,38-37+
InChIKeyRECKWCKGWANKOT-APOTVUORSA-N
MW934.24 g/mol
LogP18.81
Rot. Bonds10

About N-[(Z)-3-[5'-[(E)-2-[4-(3,6-diphenyl-4-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2(7),3,5,8,10,12,15,18-nonaenyl)phenyl]ethenyl]-2'-methylspiro[1,3-dihydroindene-2,3'-indene]-1'-yl]prop-2-enyl]-N-phenylaniline

N-[(Z)-3-[5'-[(E)-2-[4-(3,6-diphenyl-4-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2(7),3,5,8,10,12,15,18-nonaenyl)phenyl]ethenyl]-2'-methylspiro[1,3-dihydroindene-2,3'-indene]-1'-yl]prop-2-enyl]-N-phenylaniline (PubChem CID 143983916) has the molecular formula C72H55N and a molecular weight of 934.24 g/mol. Its IUPAC name is N-[(Z)-3-[5'-[(E)-2-[4-(3,6-diphenyl-4-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2(7),3,5,8,10,12,15,18-nonaenyl)phenyl]ethenyl]-2'-methylspiro[1,3-dihydroindene-2,3'-indene]-1'-yl]prop-2-enyl]-N-phenylaniline.

Molecular Properties

Compound NameN-[(Z)-3-[5'-[(E)-2-[4-(3,6-diphenyl-4-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2(7),3,5,8,10,12,15,18-nonaenyl)phenyl]ethenyl]-2'-methylspiro[1,3-dihydroindene-2,3'-indene]-1'-yl]prop-2-enyl]-N-phenylaniline
PubChem CID143983916
Molecular FormulaC72H55N
Molecular Weight934.24 g/mol
Exact Mass933.43
IUPAC NameN-[(Z)-3-[5'-[(E)-2-[4-(3,6-diphenyl-4-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2(7),3,5,8,10,12,15,18-nonaenyl)phenyl]ethenyl]-2'-methylspiro[1,3-dihydroindene-2,3'-indene]-1'-yl]prop-2-enyl]-N-phenylaniline
SMILESCC1=C(/C=C\CN(c2ccccc2)c2ccccc2)c2ccc(/C=C/c3ccc(-c4cc(-c5ccccc5)c5c(c6c(c7ccccc75)C=CCC=C6)c4-c4ccccc4)cc3)cc2C12Cc1ccccc1C2
InChIInChI=1S/C72H55N/c1-50-60(36-21-45-73(58-28-11-4-12-29-58)59-30-13-5-14-31-59)63-44-41-52(46-68(63)72(50)48-56-26-17-18-27-57(56)49-72)38-37-51-39-42-54(43-40-51)66-47-67(53-22-7-2-8-23-53)70-64-35-20-19-33-61(64)62-32-15-6-16-34-65(62)71(70)69(66)55-24-9-3-10-25-55/h2-5,7-44,46-47H,6,45,48-49H2,1H3/b36-21-,38-37+
InChIKeyRECKWCKGWANKOT-APOTVUORSA-N
XLogP18.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.24
LogP ≤ 518.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-[(Z)-3-[5'-[(E)-2-[4-(3,6-diphenyl-4-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2(7),3,5,8,10,12,15,18-nonaenyl)phenyl]ethenyl]-2'-methylspiro[1,3-dihydroindene-2,3'-indene]-1'-yl]prop-2-enyl]-N-phenylaniline with MolForge

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Related Compounds

7'-[(E)-2-[4-(4,5-diphenylnaphthalen-1-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-fluorene]-2'-amine
CID 89074839
7'-[(E)-2-[4-(1,4-diphenyl-7,8-dihydronaphthalen-2-yl)phenyl]ethenyl]-N,N-diphenylspiro[1,3-dihydroindene-2,9'-3,4-dihydrofluorene]-2'-amine
CID 89066735
N-[4-[7-(9,9-dimethylfluoren-2-yl)-3,4,10-triphenyltriphenylen-1-yl]phenyl]-N-phenyl-5,6-dihydronaphthalen-1-amine
CID 89083660
9,9-diethyl-N,N-diphenyl-7-[(E)-2-[4-(10-phenylphenanthren-9-yl)phenyl]ethenyl]fluoren-2-amine
CID 89075006
N-[(Z)-3-[5-[(E)-2-[4-[2-[[(Z)-[(3Z,5Z)-1-benzoxocin-2-ylidene]methyl]amino]-6-phenylphenyl]phenyl]ethenyl]-3,3-diethyl-2-methylinden-1-yl]prop-2-enyl]-N-phenylcyclohepta-2,4-dien-1-amine
CID 143983980
7-[2-[4-(2,6-dimethyl-3-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 91384887
7-[(E)-2-[4-[10-[4-[(E)-2-[9,9-dimethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]phenyl]anthracen-9-yl]phenyl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 59245877
4-[8-(4-methylphenyl)-5,7-diphenyltriphenylen-2-yl]-N,N-diphenylaniline
CID 59308621
N-(5,6-dihydronaphthalen-1-yl)-6-[(E)-2-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]ethenyl]-N-(4-phenylphenyl)naphthalen-2-amine;ethane
CID 143727348
N-[9,9-dimethyl-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-yl]-N-(4-methylphenyl)-7H-benzo[a]phenalen-4-amine
CID 91214788
7-[2-[4-(2,3-dimethyl-4-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 91004917
7-[(E)-2-[4-(2,3-dimethyl-4-phenylphenyl)phenyl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 89074843

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-[5'-[(E)-2-[4-(3,6-diphenyl-4-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2(7),3,5,8,10,12,15,18-nonaenyl)phenyl]ethenyl]-2'-methylspiro[1,3-dihydroindene-2,3'-indene]-1'-yl]prop-2-enyl]-N-phenylaniline?
The IUPAC name of N-[(Z)-3-[5'-[(E)-2-[4-(3,6-diphenyl-4-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2(7),3,5,8,10,12,15,18-nonaenyl)phenyl]ethenyl]-2'-methylspiro[1,3-dihydroindene-2,3'-indene]-1'-yl]prop-2-enyl]-N-phenylaniline (CID 143983916) is N-[(Z)-3-[5'-[(E)-2-[4-(3,6-diphenyl-4-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2(7),3,5,8,10,12,15,18-nonaenyl)phenyl]ethenyl]-2'-methylspiro[1,3-dihydroindene-2,3'-indene]-1'-yl]prop-2-enyl]-N-phenylaniline.
What is the SMILES notation for N-[(Z)-3-[5'-[(E)-2-[4-(3,6-diphenyl-4-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2(7),3,5,8,10,12,15,18-nonaenyl)phenyl]ethenyl]-2'-methylspiro[1,3-dihydroindene-2,3'-indene]-1'-yl]prop-2-enyl]-N-phenylaniline?
The canonical SMILES for N-[(Z)-3-[5'-[(E)-2-[4-(3,6-diphenyl-4-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2(7),3,5,8,10,12,15,18-nonaenyl)phenyl]ethenyl]-2'-methylspiro[1,3-dihydroindene-2,3'-indene]-1'-yl]prop-2-enyl]-N-phenylaniline is CC1=C(/C=C\CN(c2ccccc2)c2ccccc2)c2ccc(/C=C/c3ccc(-c4cc(-c5ccccc5)c5c(c6c(c7ccccc75)C=CCC=C6)c4-c4ccccc4)cc3)cc2C12Cc1ccccc1C2.
What is the InChIKey of N-[(Z)-3-[5'-[(E)-2-[4-(3,6-diphenyl-4-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2(7),3,5,8,10,12,15,18-nonaenyl)phenyl]ethenyl]-2'-methylspiro[1,3-dihydroindene-2,3'-indene]-1'-yl]prop-2-enyl]-N-phenylaniline?
The InChIKey is RECKWCKGWANKOT-APOTVUORSA-N. The full InChI is InChI=1S/C72H55N/c1-50-60(36-21-45-73(58-28-11-4-12-29-58)59-30-13-5-14-31-59)63-44-41-52(46-68(63)72(50)48-56-26-17-18-27-57(56)49-72)38-37-51-39-42-54(43-40-51)66-47-67(53-22-7-2-8-23-53)70-64-35-20-19-33-61(64)62-32-15-6-16-34-65(62)71(70)69(66)55-24-9-3-10-25-55/h2-5,7-44,46-47H,6,45,48-49H2,1H3/b36-21-,38-37+.
What are the key properties of N-[(Z)-3-[5'-[(E)-2-[4-(3,6-diphenyl-4-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2(7),3,5,8,10,12,15,18-nonaenyl)phenyl]ethenyl]-2'-methylspiro[1,3-dihydroindene-2,3'-indene]-1'-yl]prop-2-enyl]-N-phenylaniline?
N-[(Z)-3-[5'-[(E)-2-[4-(3,6-diphenyl-4-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2(7),3,5,8,10,12,15,18-nonaenyl)phenyl]ethenyl]-2'-methylspiro[1,3-dihydroindene-2,3'-indene]-1'-yl]prop-2-enyl]-N-phenylaniline has a molecular weight of 934.24 g/mol, XLogP of 18.81, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-[5'-[(E)-2-[4-(3,6-diphenyl-4-tetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2(7),3,5,8,10,12,15,18-nonaenyl)phenyl]ethenyl]-2'-methylspiro[1,3-dihydroindene-2,3'-indene]-1'-yl]prop-2-enyl]-N-phenylaniline is sourced from PubChem (CID 143983916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).