N-[4-[(5E,6Z)-5-ethylidene-4-phenylnona-1,3,6,8-tetraenyl]phenyl]-4-[(5E,6Z)-5-ethylidene-4-phenylocta-3,6-dienyl]-N-[4-[(5E,6Z)-5-ethylidene-4-phenylocta-1,3,6-trienyl]phenyl]aniline

C67H65N — CID 170110428

IUPACN-[4-[(5E,6Z)-5-ethylidene-4-phenylnona-1,3,6,8-tetraenyl]phenyl]-4-[(5E,6Z)-5-ethylidene-4-phenylocta-3,6-dienyl]-N-[4-[(5E,6Z)-5-ethylidene-4-phenylocta-1,3,6-trienyl]phenyl]aniline
SMILESC=C/C=C\C(=C/C)C(=CC=Cc1ccc(N(c2ccc(C=CC=C(C(/C=C\C)=C/C)c3ccccc3)cc2)c2ccc(CCC=C(C(/C=C\C)=C/C)c3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C67H65N/c1-7-13-31-58(12-6)67(61-36-21-16-22-37-61)40-25-30-55-45-51-64(52-46-55)68(62-47-41-53(42-48-62)28-23-38-65(56(10-4)26-8-2)59-32-17-14-18-33-59)63-49-43-54(44-50-63)29-24-39-66(57(11-5)27-9-3)60-34-19-15-20-35-60/h7-23,25-28,30-52H,1,24,29H2,2-6H3/b26-8-,27-9-,28-23?,30-25?,31-13-,56-10+,57-11+,58-12+,65-38?,66-39?,67-40?
InChIKeyMITVJEMMIDQJBX-ONMDBQFSSA-N
MW884.26 g/mol
LogP19.10
Rot. Bonds20

About N-[4-[(5E,6Z)-5-ethylidene-4-phenylnona-1,3,6,8-tetraenyl]phenyl]-4-[(5E,6Z)-5-ethylidene-4-phenylocta-3,6-dienyl]-N-[4-[(5E,6Z)-5-ethylidene-4-phenylocta-1,3,6-trienyl]phenyl]aniline

N-[4-[(5E,6Z)-5-ethylidene-4-phenylnona-1,3,6,8-tetraenyl]phenyl]-4-[(5E,6Z)-5-ethylidene-4-phenylocta-3,6-dienyl]-N-[4-[(5E,6Z)-5-ethylidene-4-phenylocta-1,3,6-trienyl]phenyl]aniline (PubChem CID 170110428) has the molecular formula C67H65N and a molecular weight of 884.26 g/mol. Its IUPAC name is N-[4-[(5E,6Z)-5-ethylidene-4-phenylnona-1,3,6,8-tetraenyl]phenyl]-4-[(5E,6Z)-5-ethylidene-4-phenylocta-3,6-dienyl]-N-[4-[(5E,6Z)-5-ethylidene-4-phenylocta-1,3,6-trienyl]phenyl]aniline.

Molecular Properties

Compound NameN-[4-[(5E,6Z)-5-ethylidene-4-phenylnona-1,3,6,8-tetraenyl]phenyl]-4-[(5E,6Z)-5-ethylidene-4-phenylocta-3,6-dienyl]-N-[4-[(5E,6Z)-5-ethylidene-4-phenylocta-1,3,6-trienyl]phenyl]aniline
PubChem CID170110428
Molecular FormulaC67H65N
Molecular Weight884.26 g/mol
Exact Mass883.51
IUPAC NameN-[4-[(5E,6Z)-5-ethylidene-4-phenylnona-1,3,6,8-tetraenyl]phenyl]-4-[(5E,6Z)-5-ethylidene-4-phenylocta-3,6-dienyl]-N-[4-[(5E,6Z)-5-ethylidene-4-phenylocta-1,3,6-trienyl]phenyl]aniline
SMILESC=C/C=C\C(=C/C)C(=CC=Cc1ccc(N(c2ccc(C=CC=C(C(/C=C\C)=C/C)c3ccccc3)cc2)c2ccc(CCC=C(C(/C=C\C)=C/C)c3ccccc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C67H65N/c1-7-13-31-58(12-6)67(61-36-21-16-22-37-61)40-25-30-55-45-51-64(52-46-55)68(62-47-41-53(42-48-62)28-23-38-65(56(10-4)26-8-2)59-32-17-14-18-33-59)63-49-43-54(44-50-63)29-24-39-66(57(11-5)27-9-3)60-34-19-15-20-35-60/h7-23,25-28,30-52H,1,24,29H2,2-6H3/b26-8-,27-9-,28-23?,30-25?,31-13-,56-10+,57-11+,58-12+,65-38?,66-39?,67-40?
InChIKeyMITVJEMMIDQJBX-ONMDBQFSSA-N
XLogP19.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.26
LogP ≤ 519.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[4-[(5E,6Z)-5-ethylidene-4-phenylnona-1,3,6,8-tetraenyl]phenyl]-4-[(5E,6Z)-5-ethylidene-4-phenylocta-3,6-dienyl]-N-[4-[(5E,6Z)-5-ethylidene-4-phenylocta-1,3,6-trienyl]phenyl]aniline with MolForge

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Related Compounds

[(1E,3E,5E,6Z)-5-ethylidene-4-propylnona-1,3,6,8-tetraenyl]benzene
CID 142480935
4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]aniline;ethane
CID 163992333
N,N-diphenyl-4-[(1E,3E,5Z)-4-[(Z)-2-phenylethenyl]hepta-1,3,5-trienyl]aniline
CID 89342874
N,N-diphenyl-4-[(1E,3E)-4-phenylpenta-1,3-dienyl]aniline
CID 23547422
4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline
CID 23371223
N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline
CID 89417368
N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethyl]aniline
CID 76639574
4-pentyl-N,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 134259379
1-[4-(2,2-diphenylethenyl)phenyl]-3-[4-[(1Z,3E,4Z)-3-ethylidene-2-phenylhepta-1,4,6-trienyl]phenyl]-5-propylbenzene;ethane
CID 144583790
4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N,N-bis[4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]phenyl]aniline
CID 87948560
4-hexyl-N,N-bis[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline
CID 76558986
4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-[4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]phenyl]-N-phenylaniline
CID 87948616

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5E,6Z)-5-ethylidene-4-phenylnona-1,3,6,8-tetraenyl]phenyl]-4-[(5E,6Z)-5-ethylidene-4-phenylocta-3,6-dienyl]-N-[4-[(5E,6Z)-5-ethylidene-4-phenylocta-1,3,6-trienyl]phenyl]aniline?
The IUPAC name of N-[4-[(5E,6Z)-5-ethylidene-4-phenylnona-1,3,6,8-tetraenyl]phenyl]-4-[(5E,6Z)-5-ethylidene-4-phenylocta-3,6-dienyl]-N-[4-[(5E,6Z)-5-ethylidene-4-phenylocta-1,3,6-trienyl]phenyl]aniline (CID 170110428) is N-[4-[(5E,6Z)-5-ethylidene-4-phenylnona-1,3,6,8-tetraenyl]phenyl]-4-[(5E,6Z)-5-ethylidene-4-phenylocta-3,6-dienyl]-N-[4-[(5E,6Z)-5-ethylidene-4-phenylocta-1,3,6-trienyl]phenyl]aniline.
What is the SMILES notation for N-[4-[(5E,6Z)-5-ethylidene-4-phenylnona-1,3,6,8-tetraenyl]phenyl]-4-[(5E,6Z)-5-ethylidene-4-phenylocta-3,6-dienyl]-N-[4-[(5E,6Z)-5-ethylidene-4-phenylocta-1,3,6-trienyl]phenyl]aniline?
The canonical SMILES for N-[4-[(5E,6Z)-5-ethylidene-4-phenylnona-1,3,6,8-tetraenyl]phenyl]-4-[(5E,6Z)-5-ethylidene-4-phenylocta-3,6-dienyl]-N-[4-[(5E,6Z)-5-ethylidene-4-phenylocta-1,3,6-trienyl]phenyl]aniline is C=C/C=C\C(=C/C)C(=CC=Cc1ccc(N(c2ccc(C=CC=C(C(/C=C\C)=C/C)c3ccccc3)cc2)c2ccc(CCC=C(C(/C=C\C)=C/C)c3ccccc3)cc2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[(5E,6Z)-5-ethylidene-4-phenylnona-1,3,6,8-tetraenyl]phenyl]-4-[(5E,6Z)-5-ethylidene-4-phenylocta-3,6-dienyl]-N-[4-[(5E,6Z)-5-ethylidene-4-phenylocta-1,3,6-trienyl]phenyl]aniline?
The InChIKey is MITVJEMMIDQJBX-ONMDBQFSSA-N. The full InChI is InChI=1S/C67H65N/c1-7-13-31-58(12-6)67(61-36-21-16-22-37-61)40-25-30-55-45-51-64(52-46-55)68(62-47-41-53(42-48-62)28-23-38-65(56(10-4)26-8-2)59-32-17-14-18-33-59)63-49-43-54(44-50-63)29-24-39-66(57(11-5)27-9-3)60-34-19-15-20-35-60/h7-23,25-28,30-52H,1,24,29H2,2-6H3/b26-8-,27-9-,28-23?,30-25?,31-13-,56-10+,57-11+,58-12+,65-38?,66-39?,67-40?.
What are the key properties of N-[4-[(5E,6Z)-5-ethylidene-4-phenylnona-1,3,6,8-tetraenyl]phenyl]-4-[(5E,6Z)-5-ethylidene-4-phenylocta-3,6-dienyl]-N-[4-[(5E,6Z)-5-ethylidene-4-phenylocta-1,3,6-trienyl]phenyl]aniline?
N-[4-[(5E,6Z)-5-ethylidene-4-phenylnona-1,3,6,8-tetraenyl]phenyl]-4-[(5E,6Z)-5-ethylidene-4-phenylocta-3,6-dienyl]-N-[4-[(5E,6Z)-5-ethylidene-4-phenylocta-1,3,6-trienyl]phenyl]aniline has a molecular weight of 884.26 g/mol, XLogP of 19.10, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5E,6Z)-5-ethylidene-4-phenylnona-1,3,6,8-tetraenyl]phenyl]-4-[(5E,6Z)-5-ethylidene-4-phenylocta-3,6-dienyl]-N-[4-[(5E,6Z)-5-ethylidene-4-phenylocta-1,3,6-trienyl]phenyl]aniline is sourced from PubChem (CID 170110428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).