4-[15-(4-ethenylphenyl)-3-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaenyl]-N,N-diphenylaniline

C52H33N — CID 58731404

IUPAC4-[15-(4-ethenylphenyl)-3-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaenyl]-N,N-diphenylaniline
SMILESC=Cc1ccc(-c2c3c4cccc5cccc(c3c(-c3ccc(N(c6ccccc6)c6ccccc6)cc3)c3c6cccc7cccc(c23)c76)c54)cc1
InChIInChI=1S/C52H33N/c1-2-33-25-27-36(28-26-33)47-49-41-21-9-13-34-15-11-23-43(45(34)41)51(49)48(52-44-24-12-16-35-14-10-22-42(46(35)44)50(47)52)37-29-31-40(32-30-37)53(38-17-5-3-6-18-38)39-19-7-4-8-20-39/h2-32H,1H2
InChIKeyGGEUSZFYSAAEDY-UHFFFAOYSA-N
MW671.84 g/mol
LogP14.93
Rot. Bonds6

About 4-[15-(4-ethenylphenyl)-3-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaenyl]-N,N-diphenylaniline

4-[15-(4-ethenylphenyl)-3-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaenyl]-N,N-diphenylaniline (PubChem CID 58731404) has the molecular formula C52H33N and a molecular weight of 671.84 g/mol. Its IUPAC name is 4-[15-(4-ethenylphenyl)-3-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaenyl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[15-(4-ethenylphenyl)-3-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaenyl]-N,N-diphenylaniline
PubChem CID58731404
Molecular FormulaC52H33N
Molecular Weight671.84 g/mol
Exact Mass671.26
IUPAC Name4-[15-(4-ethenylphenyl)-3-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaenyl]-N,N-diphenylaniline
SMILESC=Cc1ccc(-c2c3c4cccc5cccc(c3c(-c3ccc(N(c6ccccc6)c6ccccc6)cc3)c3c6cccc7cccc(c23)c76)c54)cc1
InChIInChI=1S/C52H33N/c1-2-33-25-27-36(28-26-33)47-49-41-21-9-13-34-15-11-23-43(45(34)41)51(49)48(52-44-24-12-16-35-14-10-22-42(46(35)44)50(47)52)37-29-31-40(32-30-37)53(38-17-5-3-6-18-38)39-19-7-4-8-20-39/h2-32H,1H2
InChIKeyGGEUSZFYSAAEDY-UHFFFAOYSA-N
XLogP14.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.84
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[15-(4-ethenylphenyl)-3-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaenyl]-N,N-diphenylaniline with MolForge

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Related Compounds

4-ethenyl-N,N-diphenylaniline;4-ethenyl-N-phenyl-N-(4-phenylphenyl)aniline
CID 162186031
9-(4-ethenylphenyl)-2-N,2-N,6-N,6-N,10-pentakis-phenylanthracene-2,6-diamine
CID 88909395
4-[2-[4-(4-ethenylphenyl)phenyl]ethenyl]-N,N-diphenylaniline
CID 142226896
perylene;styrene
CID 174665389
4-[2-(4-ethenylphenyl)ethenyl]-N-[4-[2-(4-ethenylphenyl)ethenyl]phenyl]-N-phenylaniline
CID 142673851
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)benzaldehyde
CID 160992950
4-ethenyl-N,N-bis(4-phenylphenyl)aniline;N-(4-ethenylphenyl)-N-phenylanthracen-2-amine;N-(4-ethenylphenyl)-N-phenylnaphthalen-2-amine;4-ethenyl-N-phenyl-N-(4-phenylphenyl)aniline
CID 159518659
N-[4-[4-(4-ethenyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-3-methyl-N-phenylaniline
CID 21044922
CID 102085627
CID 102085627
1-N-phenyl-4-N-[4-[10-[4-(N-phenylanilino)phenyl]anthracen-9-yl]phenyl]-1-N-[4-[(E)-2-phenylethenyl]phenyl]-4-N-[4-(N-[4-[(E)-2-phenylethenyl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 22983474
4-anthracen-9-yl-N,N-diphenylaniline
CID 20625761
N,N-diphenyl-4-[2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]ethenyl]aniline
CID 76823027

Frequently Asked Questions

What is the IUPAC name of 4-[15-(4-ethenylphenyl)-3-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaenyl]-N,N-diphenylaniline?
The IUPAC name of 4-[15-(4-ethenylphenyl)-3-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaenyl]-N,N-diphenylaniline (CID 58731404) is 4-[15-(4-ethenylphenyl)-3-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaenyl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[15-(4-ethenylphenyl)-3-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaenyl]-N,N-diphenylaniline?
The canonical SMILES for 4-[15-(4-ethenylphenyl)-3-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaenyl]-N,N-diphenylaniline is C=Cc1ccc(-c2c3c4cccc5cccc(c3c(-c3ccc(N(c6ccccc6)c6ccccc6)cc3)c3c6cccc7cccc(c23)c76)c54)cc1.
What is the InChIKey of 4-[15-(4-ethenylphenyl)-3-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaenyl]-N,N-diphenylaniline?
The InChIKey is GGEUSZFYSAAEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N/c1-2-33-25-27-36(28-26-33)47-49-41-21-9-13-34-15-11-23-43(45(34)41)51(49)48(52-44-24-12-16-35-14-10-22-42(46(35)44)50(47)52)37-29-31-40(32-30-37)53(38-17-5-3-6-18-38)39-19-7-4-8-20-39/h2-32H,1H2.
What are the key properties of 4-[15-(4-ethenylphenyl)-3-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaenyl]-N,N-diphenylaniline?
4-[15-(4-ethenylphenyl)-3-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaenyl]-N,N-diphenylaniline has a molecular weight of 671.84 g/mol, XLogP of 14.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[15-(4-ethenylphenyl)-3-heptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5,7,9(26),10,12,14,17,19,21(25),22-tridecaenyl]-N,N-diphenylaniline is sourced from PubChem (CID 58731404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).