N-ethenyl-4-(4-icosoxyphenyl)-N-phenylaniline

C40H57NO — CID 141326120

IUPACN-ethenyl-4-(4-icosoxyphenyl)-N-phenylaniline
SMILESC=CN(c1ccccc1)c1ccc(-c2ccc(OCCCCCCCCCCCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C40H57NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-35-42-40-33-29-37(30-34-40)36-27-31-39(32-28-36)41(4-2)38-25-22-21-23-26-38/h4,21-23,25-34H,2-3,5-20,24,35H2,1H3
InChIKeyIRQFGTWEKLAYJA-UHFFFAOYSA-N
MW567.90 g/mol
LogP13.06
Rot. Bonds24

About N-ethenyl-4-(4-icosoxyphenyl)-N-phenylaniline

N-ethenyl-4-(4-icosoxyphenyl)-N-phenylaniline (PubChem CID 141326120) has the molecular formula C40H57NO and a molecular weight of 567.90 g/mol. Its IUPAC name is N-ethenyl-4-(4-icosoxyphenyl)-N-phenylaniline.

Molecular Properties

Compound NameN-ethenyl-4-(4-icosoxyphenyl)-N-phenylaniline
PubChem CID141326120
Molecular FormulaC40H57NO
Molecular Weight567.90 g/mol
Exact Mass567.44
IUPAC NameN-ethenyl-4-(4-icosoxyphenyl)-N-phenylaniline
SMILESC=CN(c1ccccc1)c1ccc(-c2ccc(OCCCCCCCCCCCCCCCCCCCC)cc2)cc1
InChIInChI=1S/C40H57NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-35-42-40-33-29-37(30-34-40)36-27-31-39(32-28-36)41(4-2)38-25-22-21-23-26-38/h4,21-23,25-34H,2-3,5-20,24,35H2,1H3
InChIKeyIRQFGTWEKLAYJA-UHFFFAOYSA-N
XLogP13.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.90
LogP ≤ 513.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-pentoxyphenyl)-4-[4-(N-(4-pentoxyphenyl)anilino)phenyl]-N-phenylaniline
CID 21311051
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
1-pentoxy-4-phenylbenzene
CID 7021155
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
penta-1,4-diene;pentoxybenzene
CID 174999180
pentoxybenzene;undecane
CID 174778179
dodecoxybenzene;ethene;hydrate
CID 174804981
ethene;nonoxybenzene;sulfane
CID 174919596
1-ethenyl-2-(4-tetradecoxyphenyl)benzene
CID 102407772
1,1'-biphenyl;4-octadecoxyphenol
CID 158943857
1,4-di(tetradecoxy)benzene
CID 57023723

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-4-(4-icosoxyphenyl)-N-phenylaniline?
The IUPAC name of N-ethenyl-4-(4-icosoxyphenyl)-N-phenylaniline (CID 141326120) is N-ethenyl-4-(4-icosoxyphenyl)-N-phenylaniline.
What is the SMILES notation for N-ethenyl-4-(4-icosoxyphenyl)-N-phenylaniline?
The canonical SMILES for N-ethenyl-4-(4-icosoxyphenyl)-N-phenylaniline is C=CN(c1ccccc1)c1ccc(-c2ccc(OCCCCCCCCCCCCCCCCCCCC)cc2)cc1.
What is the InChIKey of N-ethenyl-4-(4-icosoxyphenyl)-N-phenylaniline?
The InChIKey is IRQFGTWEKLAYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H57NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-35-42-40-33-29-37(30-34-40)36-27-31-39(32-28-36)41(4-2)38-25-22-21-23-26-38/h4,21-23,25-34H,2-3,5-20,24,35H2,1H3.
What are the key properties of N-ethenyl-4-(4-icosoxyphenyl)-N-phenylaniline?
N-ethenyl-4-(4-icosoxyphenyl)-N-phenylaniline has a molecular weight of 567.90 g/mol, XLogP of 13.06, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-4-(4-icosoxyphenyl)-N-phenylaniline is sourced from PubChem (CID 141326120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).