N-[(14Z)-14-methyl-15-[(1Z)-penta-1,4-dienyl]-4-tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl]-N-phenyltetraphenylen-2-amine

C56H41N — CID 134527832

IUPACN-[(14Z)-14-methyl-15-[(1Z)-penta-1,4-dienyl]-4-tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl]-N-phenyltetraphenylen-2-amine
SMILESC=CC/C=C\C1=C(/C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)cc2-c2ccccc21
InChIInChI=1S/C56H41N/c1-3-4-6-21-42-38(2)43-22-9-10-24-45(43)53-34-32-40(36-55(53)51-30-17-11-23-44(42)51)57(39-19-7-5-8-20-39)41-33-35-54-50-29-15-14-27-48(50)46-25-12-13-26-47(46)49-28-16-18-31-52(49)56(54)37-41/h3,5-37H,1,4H2,2H3/b21-6-,42-38-,43-38-,44-42-,48-46-,49-47-,53-45-,54-50-,55-51-,56-52-
InChIKeyCMKWIQGHVVNQIQ-VDQGVRLWSA-N
MW727.95 g/mol
LogP15.85
Rot. Bonds6

About N-[(14Z)-14-methyl-15-[(1Z)-penta-1,4-dienyl]-4-tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl]-N-phenyltetraphenylen-2-amine

N-[(14Z)-14-methyl-15-[(1Z)-penta-1,4-dienyl]-4-tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl]-N-phenyltetraphenylen-2-amine (PubChem CID 134527832) has the molecular formula C56H41N and a molecular weight of 727.95 g/mol. Its IUPAC name is N-[(14Z)-14-methyl-15-[(1Z)-penta-1,4-dienyl]-4-tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl]-N-phenyltetraphenylen-2-amine.

Molecular Properties

Compound NameN-[(14Z)-14-methyl-15-[(1Z)-penta-1,4-dienyl]-4-tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl]-N-phenyltetraphenylen-2-amine
PubChem CID134527832
Molecular FormulaC56H41N
Molecular Weight727.95 g/mol
Exact Mass727.32
IUPAC NameN-[(14Z)-14-methyl-15-[(1Z)-penta-1,4-dienyl]-4-tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl]-N-phenyltetraphenylen-2-amine
SMILESC=CC/C=C\C1=C(/C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)cc2-c2ccccc21
InChIInChI=1S/C56H41N/c1-3-4-6-21-42-38(2)43-22-9-10-24-45(43)53-34-32-40(36-55(53)51-30-17-11-23-44(42)51)57(39-19-7-5-8-20-39)41-33-35-54-50-29-15-14-27-48(50)46-25-12-13-26-47(46)49-28-16-18-31-52(49)56(54)37-41/h3,5-37H,1,4H2,2H3/b21-6-,42-38-,43-38-,44-42-,48-46-,49-47-,53-45-,54-50-,55-51-,56-52-
InChIKeyCMKWIQGHVVNQIQ-VDQGVRLWSA-N
XLogP15.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.95
LogP ≤ 515.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(14Z)-14-methyl-15-[(1Z)-penta-1,4-dienyl]-4-tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl]-N-phenyltetraphenylen-2-amine with MolForge

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Related Compounds

N-[4-[2-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-N-phenyltetraphenylen-2-amine
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CID 20758364
N-(12b,16a-dihydrotetraphenylen-2-yl)-N-phenyltetraphenylen-2-amine
CID 155029369
2-N,2-N,7-N-tris(9,9-diethylfluoren-2-yl)-9,9-diethyl-7-N-phenylfluorene-2,7-diamine
CID 23561815
7-[(E)-2-[7-[(E)-2-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]ethenyl]-9,9-diethylfluoren-2-yl]ethenyl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 101497253
9,9-dimethyl-N,N-diphenylfluoren-3-amine
CID 126704960
2-N,2-N',2-N',7-N,7-N'-pentakis(4-methylphenyl)-2-N,7-N,7-N'-triphenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 129292300
N-phenyl-N-(4-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-amine
CID 155079035
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
9,9-dimethyl-N-phenyl-N-[4-[2-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]fluoren-2-amine
CID 90889703
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Frequently Asked Questions

What is the IUPAC name of N-[(14Z)-14-methyl-15-[(1Z)-penta-1,4-dienyl]-4-tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl]-N-phenyltetraphenylen-2-amine?
The IUPAC name of N-[(14Z)-14-methyl-15-[(1Z)-penta-1,4-dienyl]-4-tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl]-N-phenyltetraphenylen-2-amine (CID 134527832) is N-[(14Z)-14-methyl-15-[(1Z)-penta-1,4-dienyl]-4-tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl]-N-phenyltetraphenylen-2-amine.
What is the SMILES notation for N-[(14Z)-14-methyl-15-[(1Z)-penta-1,4-dienyl]-4-tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl]-N-phenyltetraphenylen-2-amine?
The canonical SMILES for N-[(14Z)-14-methyl-15-[(1Z)-penta-1,4-dienyl]-4-tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl]-N-phenyltetraphenylen-2-amine is C=CC/C=C\C1=C(/C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)-c3ccccc3-c3ccccc3-c3ccccc3-4)cc2-c2ccccc21.
What is the InChIKey of N-[(14Z)-14-methyl-15-[(1Z)-penta-1,4-dienyl]-4-tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl]-N-phenyltetraphenylen-2-amine?
The InChIKey is CMKWIQGHVVNQIQ-VDQGVRLWSA-N. The full InChI is InChI=1S/C56H41N/c1-3-4-6-21-42-38(2)43-22-9-10-24-45(43)53-34-32-40(36-55(53)51-30-17-11-23-44(42)51)57(39-19-7-5-8-20-39)41-33-35-54-50-29-15-14-27-48(50)46-25-12-13-26-47(46)49-28-16-18-31-52(49)56(54)37-41/h3,5-37H,1,4H2,2H3/b21-6-,42-38-,43-38-,44-42-,48-46-,49-47-,53-45-,54-50-,55-51-,56-52-.
What are the key properties of N-[(14Z)-14-methyl-15-[(1Z)-penta-1,4-dienyl]-4-tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl]-N-phenyltetraphenylen-2-amine?
N-[(14Z)-14-methyl-15-[(1Z)-penta-1,4-dienyl]-4-tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl]-N-phenyltetraphenylen-2-amine has a molecular weight of 727.95 g/mol, XLogP of 15.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(14Z)-14-methyl-15-[(1Z)-penta-1,4-dienyl]-4-tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2(7),3,5,8,10,12,14,16,18-decaenyl]-N-phenyltetraphenylen-2-amine is sourced from PubChem (CID 134527832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).