N-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-(4-methylphenyl)-2-phenylnaphthalen-1-yl]phenyl]-N-phenyl-4-[(E)-2-phenylethenyl]aniline

C56H45N — CID 143539879

IUPACN-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-(4-methylphenyl)-2-phenylnaphthalen-1-yl]phenyl]-N-phenyl-4-[(E)-2-phenylethenyl]aniline
SMILESC=C/C=C(\C=C/C)c1c(-c2ccccc2)c(-c2ccc(N(c3ccccc3)c3ccc(/C=C/c4ccccc4)cc3)cc2)c2ccccc2c1-c1ccc(C)cc1
InChIInChI=1S/C56H45N/c1-4-17-44(18-5-2)55-53(46-33-27-41(3)28-34-46)51-25-15-16-26-52(51)54(56(55)45-21-11-7-12-22-45)47-35-39-50(40-36-47)57(48-23-13-8-14-24-48)49-37-31-43(32-38-49)30-29-42-19-9-6-10-20-42/h4-40H,1H2,2-3H3/b18-5-,30-29+,44-17+
InChIKeyUWPINTMSLWRCSN-WHSMNUBVSA-N
MW731.98 g/mol
LogP15.93
Rot. Bonds11

About N-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-(4-methylphenyl)-2-phenylnaphthalen-1-yl]phenyl]-N-phenyl-4-[(E)-2-phenylethenyl]aniline

N-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-(4-methylphenyl)-2-phenylnaphthalen-1-yl]phenyl]-N-phenyl-4-[(E)-2-phenylethenyl]aniline (PubChem CID 143539879) has the molecular formula C56H45N and a molecular weight of 731.98 g/mol. Its IUPAC name is N-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-(4-methylphenyl)-2-phenylnaphthalen-1-yl]phenyl]-N-phenyl-4-[(E)-2-phenylethenyl]aniline.

Molecular Properties

Compound NameN-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-(4-methylphenyl)-2-phenylnaphthalen-1-yl]phenyl]-N-phenyl-4-[(E)-2-phenylethenyl]aniline
PubChem CID143539879
Molecular FormulaC56H45N
Molecular Weight731.98 g/mol
Exact Mass731.36
IUPAC NameN-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-(4-methylphenyl)-2-phenylnaphthalen-1-yl]phenyl]-N-phenyl-4-[(E)-2-phenylethenyl]aniline
SMILESC=C/C=C(\C=C/C)c1c(-c2ccccc2)c(-c2ccc(N(c3ccccc3)c3ccc(/C=C/c4ccccc4)cc3)cc2)c2ccccc2c1-c1ccc(C)cc1
InChIInChI=1S/C56H45N/c1-4-17-44(18-5-2)55-53(46-33-27-41(3)28-34-46)51-25-15-16-26-52(51)54(56(55)45-21-11-7-12-22-45)47-35-39-50(40-36-47)57(48-23-13-8-14-24-48)49-37-31-43(32-38-49)30-29-42-19-9-6-10-20-42/h4-40H,1H2,2-3H3/b18-5-,30-29+,44-17+
InChIKeyUWPINTMSLWRCSN-WHSMNUBVSA-N
XLogP15.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.98
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[10-[(3E,5Z)-hepta-1,3,5-trien-4-yl]anthracen-9-yl]phenyl]-N-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-1-amine
CID 143743724
5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-6,11,12-triphenyltetracene
CID 143060546
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
N,N-diphenyl-4-[2-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]ethenyl]aniline
CID 76823027
N,N-diphenyl-4-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]aniline;N,N-diphenyl-4-[4-[2-(4-phenylphenyl)ethenyl]phenyl]aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]buta-1,3-dienyl]phenyl]aniline;4-methyl-N-(4-methylphenyl)-N-[4-[4-(2-phenylethenyl)phenyl]phenyl]aniline
CID 160612024
4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,4-diamine
CID 59221804
3-hepta-1,3,5-trien-4-yl-N,N-bis(4-phenylphenyl)aniline
CID 123189179
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 118284207
N-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]-N-[4-(2-methyl-3-phenylpyrrolo[1,2-f]phenanthridin-1-yl)phenyl]-4-phenylaniline
CID 142312572
1-N,4-N-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]-1-N,4-N-bis[4-(2-phenylethenyl)phenyl]naphthalene-1,4-diamine
CID 72522022
N-[4-[10-[5-[10-[4-(N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]anilino)phenyl]anthracen-9-yl]naphthalen-1-yl]anthracen-9-yl]phenyl]-N,4-diphenylaniline
CID 143567046

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-(4-methylphenyl)-2-phenylnaphthalen-1-yl]phenyl]-N-phenyl-4-[(E)-2-phenylethenyl]aniline?
The IUPAC name of N-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-(4-methylphenyl)-2-phenylnaphthalen-1-yl]phenyl]-N-phenyl-4-[(E)-2-phenylethenyl]aniline (CID 143539879) is N-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-(4-methylphenyl)-2-phenylnaphthalen-1-yl]phenyl]-N-phenyl-4-[(E)-2-phenylethenyl]aniline.
What is the SMILES notation for N-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-(4-methylphenyl)-2-phenylnaphthalen-1-yl]phenyl]-N-phenyl-4-[(E)-2-phenylethenyl]aniline?
The canonical SMILES for N-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-(4-methylphenyl)-2-phenylnaphthalen-1-yl]phenyl]-N-phenyl-4-[(E)-2-phenylethenyl]aniline is C=C/C=C(\C=C/C)c1c(-c2ccccc2)c(-c2ccc(N(c3ccccc3)c3ccc(/C=C/c4ccccc4)cc3)cc2)c2ccccc2c1-c1ccc(C)cc1.
What is the InChIKey of N-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-(4-methylphenyl)-2-phenylnaphthalen-1-yl]phenyl]-N-phenyl-4-[(E)-2-phenylethenyl]aniline?
The InChIKey is UWPINTMSLWRCSN-WHSMNUBVSA-N. The full InChI is InChI=1S/C56H45N/c1-4-17-44(18-5-2)55-53(46-33-27-41(3)28-34-46)51-25-15-16-26-52(51)54(56(55)45-21-11-7-12-22-45)47-35-39-50(40-36-47)57(48-23-13-8-14-24-48)49-37-31-43(32-38-49)30-29-42-19-9-6-10-20-42/h4-40H,1H2,2-3H3/b18-5-,30-29+,44-17+.
What are the key properties of N-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-(4-methylphenyl)-2-phenylnaphthalen-1-yl]phenyl]-N-phenyl-4-[(E)-2-phenylethenyl]aniline?
N-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-(4-methylphenyl)-2-phenylnaphthalen-1-yl]phenyl]-N-phenyl-4-[(E)-2-phenylethenyl]aniline has a molecular weight of 731.98 g/mol, XLogP of 15.93, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-(4-methylphenyl)-2-phenylnaphthalen-1-yl]phenyl]-N-phenyl-4-[(E)-2-phenylethenyl]aniline is sourced from PubChem (CID 143539879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).