N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-phenyl-4-triphenylen-2-ylaniline

C36H29N — CID 144920579

IUPACN-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-phenyl-4-triphenylen-2-ylaniline
SMILESC/C=C\C=C(/C)N(c1ccccc1)c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C36H29N/c1-3-4-12-26(2)37(29-13-6-5-7-14-29)30-22-19-27(20-23-30)28-21-24-35-33-17-9-8-15-31(33)32-16-10-11-18-34(32)36(35)25-28/h3-25H,1-2H3/b4-3-,26-12+
InChIKeyLSWFXFVGUKKYLI-FIFGNFPBSA-N
MW475.64 g/mol
LogP10.43
Rot. Bonds5

About N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-phenyl-4-triphenylen-2-ylaniline

N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-phenyl-4-triphenylen-2-ylaniline (PubChem CID 144920579) has the molecular formula C36H29N and a molecular weight of 475.64 g/mol. Its IUPAC name is N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-phenyl-4-triphenylen-2-ylaniline.

Molecular Properties

Compound NameN-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-phenyl-4-triphenylen-2-ylaniline
PubChem CID144920579
Molecular FormulaC36H29N
Molecular Weight475.64 g/mol
Exact Mass475.23
IUPAC NameN-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-phenyl-4-triphenylen-2-ylaniline
SMILESC/C=C\C=C(/C)N(c1ccccc1)c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C36H29N/c1-3-4-12-26(2)37(29-13-6-5-7-14-29)30-22-19-27(20-23-30)28-21-24-35-33-17-9-8-15-31(33)32-16-10-11-18-34(32)36(35)25-28/h3-25H,1-2H3/b4-3-,26-12+
InChIKeyLSWFXFVGUKKYLI-FIFGNFPBSA-N
XLogP10.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.64
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N,4-diphenylaniline
CID 88961504
N-[4-[4-[[(2E,4Z)-hexa-2,4-dien-2-yl]-methylamino]phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 143685408
7-[3-(N-phenylanilino)phenyl]-N,N-bis(4-phenylphenyl)triphenylen-2-amine
CID 88884899
2-(3-aminopentan-3-yl)-N-hexa-2,4-dien-2-yl-N-phenyl-5-(4-pyrimidin-5-ylphenyl)aniline
CID 90744695
buta-1,3-diene;5-N,18-N-diphenyl-5-N,18-N-bis[4-(4-phenylphenyl)phenyl]hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene-5,18-diamine;ethane;(3Z)-penta-1,3-diene
CID 143856157
N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline
CID 89229629
ethane;(2E,4Z)-hexa-2,4-diene-2-thiol;toluene
CID 142555461
4-methyl-N-(4-methylphenyl)-N-[4-[(E)-2-(4-triphenylen-2-ylphenyl)ethenyl]phenyl]aniline
CID 89314584
N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-phenyl-4-(2-phenyl-10H-[1,3]thiazolo[5,4-a]carbazol-7-yl)aniline
CID 144788316
ethane;methane;2-(4-methylphenyl)triphenylene
CID 144703361
3-N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-1-N,1-N,3-N-triphenylphenanthrene-1,3-diamine
CID 166867609
1-N,1-N-diphenyl-4-N-[(2E,4E)-5-(N-[4-(N-phenylanilino)phenyl]anilino)hepta-2,4,6-trien-2-yl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 130205076

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-phenyl-4-triphenylen-2-ylaniline?
The IUPAC name of N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-phenyl-4-triphenylen-2-ylaniline (CID 144920579) is N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-phenyl-4-triphenylen-2-ylaniline.
What is the SMILES notation for N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-phenyl-4-triphenylen-2-ylaniline?
The canonical SMILES for N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-phenyl-4-triphenylen-2-ylaniline is C/C=C\C=C(/C)N(c1ccccc1)c1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1.
What is the InChIKey of N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-phenyl-4-triphenylen-2-ylaniline?
The InChIKey is LSWFXFVGUKKYLI-FIFGNFPBSA-N. The full InChI is InChI=1S/C36H29N/c1-3-4-12-26(2)37(29-13-6-5-7-14-29)30-22-19-27(20-23-30)28-21-24-35-33-17-9-8-15-31(33)32-16-10-11-18-34(32)36(35)25-28/h3-25H,1-2H3/b4-3-,26-12+.
What are the key properties of N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-phenyl-4-triphenylen-2-ylaniline?
N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-phenyl-4-triphenylen-2-ylaniline has a molecular weight of 475.64 g/mol, XLogP of 10.43, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-hexa-2,4-dien-2-yl]-N-phenyl-4-triphenylen-2-ylaniline is sourced from PubChem (CID 144920579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).