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

C53H41N — CID 167266008

IUPAC3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESC=C/C(=C\C=C/C)c1cccc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc(-c3c(-c4ccccc4)ccc4ccccc34)cc2)c1
InChIInChI=1S/C53H41N/c1-3-5-15-39(4-2)47-21-14-22-50(38-47)54(48-33-28-43(29-34-48)42-26-24-41(25-27-42)40-16-8-6-9-17-40)49-35-30-46(31-36-49)53-51-23-13-12-20-45(51)32-37-52(53)44-18-10-7-11-19-44/h3-38H,2H2,1H3/b5-3-,39-15+
InChIKeyARCCFGIKNJTXDJ-WEJMLGGUSA-N
MW691.92 g/mol
LogP15.12
Rot. Bonds10

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

3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (PubChem CID 167266008) has the molecular formula C53H41N and a molecular weight of 691.92 g/mol. Its IUPAC name is 3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.

Molecular Properties

Compound Name3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
PubChem CID167266008
Molecular FormulaC53H41N
Molecular Weight691.92 g/mol
Exact Mass691.32
IUPAC Name3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
SMILESC=C/C(=C\C=C/C)c1cccc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc(-c3c(-c4ccccc4)ccc4ccccc34)cc2)c1
InChIInChI=1S/C53H41N/c1-3-5-15-39(4-2)47-21-14-22-50(38-47)54(48-33-28-43(29-34-48)42-26-24-41(25-27-42)40-16-8-6-9-17-40)49-35-30-46(31-36-49)53-51-23-13-12-20-45(51)32-37-52(53)44-18-10-7-11-19-44/h3-38H,2H2,1H3/b5-3-,39-15+
InChIKeyARCCFGIKNJTXDJ-WEJMLGGUSA-N
XLogP15.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.92
LogP ≤ 515.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-2'-amine
CID 145276633
N,4-diphenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526975
17-N'-[3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]phenyl]-7-N',17-N'-diphenyl-7-N'-(3-phenylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]-7',17'-diamine
CID 145353164
N-(3-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172527571
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172526926
N-(4-naphthalen-2-ylphenyl)-3-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527468
N-[4-(1-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 172526971
4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527780
N-[4-[1-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-2-yl]phenyl]-N-phenylnaphthalen-2-amine
CID 166916880
N-(4-phenanthren-9-ylphenyl)-3-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 172527319
N-[4-[3-[3-[4-[4-[4-(4-naphthalen-2-ylphenyl)-N-[4-(1-phenylnaphthalen-2-yl)phenyl]anilino]phenyl]phenyl]phenyl]phenyl]phenyl]-4-phenyl-N-[4-(1-phenylnaphthalen-2-yl)phenyl]aniline
CID 167265702
N-(4-naphthalen-2-ylphenyl)-4-phenyl-N-[4-(2-phenylnaphthalen-1-yl)phenyl]aniline
CID 172527339

Frequently Asked Questions

What is the IUPAC name of 3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The IUPAC name of 3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline (CID 167266008) is 3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline.
What is the SMILES notation for 3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The canonical SMILES for 3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is C=C/C(=C\C=C/C)c1cccc(N(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)c2ccc(-c3c(-c4ccccc4)ccc4ccccc34)cc2)c1.
What is the InChIKey of 3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
The InChIKey is ARCCFGIKNJTXDJ-WEJMLGGUSA-N. The full InChI is InChI=1S/C53H41N/c1-3-5-15-39(4-2)47-21-14-22-50(38-47)54(48-33-28-43(29-34-48)42-26-24-41(25-27-42)40-16-8-6-9-17-40)49-35-30-46(31-36-49)53-51-23-13-12-20-45(51)32-37-52(53)44-18-10-7-11-19-44/h3-38H,2H2,1H3/b5-3-,39-15+.
What are the key properties of 3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline?
3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline has a molecular weight of 691.92 g/mol, XLogP of 15.12, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-[4-(2-phenylnaphthalen-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline is sourced from PubChem (CID 167266008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).