N-(4-naphthalen-2-ylphenyl)-3-[(2E)-penta-2,4-dien-2-yl]-N-(4-phenylphenyl)aniline

C39H31N — CID 142474096

IUPACN-(4-naphthalen-2-ylphenyl)-3-[(2E)-penta-2,4-dien-2-yl]-N-(4-phenylphenyl)aniline
SMILESC=C/C=C(\C)c1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)c1
InChIInChI=1S/C39H31N/c1-3-10-29(2)34-15-9-16-39(28-34)40(37-23-19-32(20-24-37)30-11-5-4-6-12-30)38-25-21-33(22-26-38)36-18-17-31-13-7-8-14-35(31)27-36/h3-28H,1H2,2H3/b29-10+
InChIKeyDHWCZPUCGANUBY-VYVUJPJFSA-N
MW513.68 g/mol
LogP11.23
Rot. Bonds7

About N-(4-naphthalen-2-ylphenyl)-3-[(2E)-penta-2,4-dien-2-yl]-N-(4-phenylphenyl)aniline

N-(4-naphthalen-2-ylphenyl)-3-[(2E)-penta-2,4-dien-2-yl]-N-(4-phenylphenyl)aniline (PubChem CID 142474096) has the molecular formula C39H31N and a molecular weight of 513.68 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-3-[(2E)-penta-2,4-dien-2-yl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-3-[(2E)-penta-2,4-dien-2-yl]-N-(4-phenylphenyl)aniline
PubChem CID142474096
Molecular FormulaC39H31N
Molecular Weight513.68 g/mol
Exact Mass513.25
IUPAC NameN-(4-naphthalen-2-ylphenyl)-3-[(2E)-penta-2,4-dien-2-yl]-N-(4-phenylphenyl)aniline
SMILESC=C/C=C(\C)c1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)c1
InChIInChI=1S/C39H31N/c1-3-10-29(2)34-15-9-16-39(28-34)40(37-23-19-32(20-24-37)30-11-5-4-6-12-30)38-25-21-33(22-26-38)36-18-17-31-13-7-8-14-35(31)27-36/h3-28H,1H2,2H3/b29-10+
InChIKeyDHWCZPUCGANUBY-VYVUJPJFSA-N
XLogP11.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.68
LogP ≤ 511.23
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

3-naphthalen-2-yl-N,N-bis(4-phenylphenyl)aniline
CID 167236634
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 166565645
3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167323928
ethane;N-[3-[4-[4-[[(3E)-hexa-1,3,5-trien-3-yl]-naphthalen-2-ylamino]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 145407631
N-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]-N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]naphthalen-2-amine
CID 143685031
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
3-hepta-1,3,5-trien-4-yl-N,N-bis(4-phenylphenyl)aniline
CID 123189179
N-[4-[(E)-2-[4-(N-naphthalen-2-yl-3-phenylanilino)phenyl]-1,2-diphenylethenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 58715856
N-phenyl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]-N-[6-[4-(N-(4-phenylphenyl)anilino)phenyl]naphthalen-2-yl]naphthalen-2-amine
CID 59690791
N-[4-(4-methylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 145442294
N-phenyl-7-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 166916774
N-[4-[3-[3-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 121286442

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-3-[(2E)-penta-2,4-dien-2-yl]-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-3-[(2E)-penta-2,4-dien-2-yl]-N-(4-phenylphenyl)aniline (CID 142474096) is N-(4-naphthalen-2-ylphenyl)-3-[(2E)-penta-2,4-dien-2-yl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-3-[(2E)-penta-2,4-dien-2-yl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-3-[(2E)-penta-2,4-dien-2-yl]-N-(4-phenylphenyl)aniline is C=C/C=C(\C)c1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccc4ccccc4c3)cc2)c1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-3-[(2E)-penta-2,4-dien-2-yl]-N-(4-phenylphenyl)aniline?
The InChIKey is DHWCZPUCGANUBY-VYVUJPJFSA-N. The full InChI is InChI=1S/C39H31N/c1-3-10-29(2)34-15-9-16-39(28-34)40(37-23-19-32(20-24-37)30-11-5-4-6-12-30)38-25-21-33(22-26-38)36-18-17-31-13-7-8-14-35(31)27-36/h3-28H,1H2,2H3/b29-10+.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-3-[(2E)-penta-2,4-dien-2-yl]-N-(4-phenylphenyl)aniline?
N-(4-naphthalen-2-ylphenyl)-3-[(2E)-penta-2,4-dien-2-yl]-N-(4-phenylphenyl)aniline has a molecular weight of 513.68 g/mol, XLogP of 11.23, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-3-[(2E)-penta-2,4-dien-2-yl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 142474096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).