N,N-diphenyl-4-[2-[3-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]ethyl]aniline

C46H40N2 — CID 14646517

IUPACN,N-diphenyl-4-[2-[3-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]ethyl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(CCc3cccc(CCc4ccc(N(c5ccccc5)c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C46H40N2/c1-5-16-41(17-6-1)47(42-18-7-2-8-19-42)45-32-28-37(29-33-45)24-26-39-14-13-15-40(36-39)27-25-38-30-34-46(35-31-38)48(43-20-9-3-10-21-43)44-22-11-4-12-23-44/h1-23,28-36H,24-27H2
InChIKeyLGUYWNRDTSNTPD-UHFFFAOYSA-N
MW620.84 g/mol
LogP12.20
Rot. Bonds12

About N,N-diphenyl-4-[2-[3-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]ethyl]aniline

N,N-diphenyl-4-[2-[3-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]ethyl]aniline (PubChem CID 14646517) has the molecular formula C46H40N2 and a molecular weight of 620.84 g/mol. Its IUPAC name is N,N-diphenyl-4-[2-[3-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]ethyl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[2-[3-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]ethyl]aniline
PubChem CID14646517
Molecular FormulaC46H40N2
Molecular Weight620.84 g/mol
Exact Mass620.32
IUPAC NameN,N-diphenyl-4-[2-[3-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]ethyl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(CCc3cccc(CCc4ccc(N(c5ccccc5)c5ccccc5)cc4)c3)cc2)cc1
InChIInChI=1S/C46H40N2/c1-5-16-41(17-6-1)47(42-18-7-2-8-19-42)45-32-28-37(29-33-45)24-26-39-14-13-15-40(36-39)27-25-38-30-34-46(35-31-38)48(43-20-9-3-10-21-43)44-22-11-4-12-23-44/h1-23,28-36H,24-27H2
InChIKeyLGUYWNRDTSNTPD-UHFFFAOYSA-N
XLogP12.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.84
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine
CID 157362668
1,3-bis(2-phenylethyl)benzene;1,4-bis(2-phenylethyl)benzene;1,3-bis(3-phenylpropyl)benzene;1,4-bis(3-phenylpropyl)benzene
CID 161066607
N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethyl]aniline
CID 76639574
N-(4-ethenylphenyl)-4-[2-[4-(N-(4-ethenylphenyl)anilino)phenyl]ethyl]-N-phenylaniline
CID 89417368
3-butyl-N-(3-butylphenyl)-N-phenylaniline
CID 90178850
N-phenyl-N-[4-[4-(N-[4-(2-phenylethenyl)phenyl]anilino)phenyl]phenyl]-4-(2-phenylethyl)aniline
CID 59987784
6,6,12,12-tetramethyl-N,N-diphenyl-8-(2-phenylethyl)indeno[1,2-b]fluoren-2-amine
CID 145202751
2-[3-(N-(4-phenylphenyl)anilino)phenyl]ethanol
CID 20580073
1-ethyl-3-(2-phenylethyl)benzene;molecular hydrogen
CID 142077285
2-[4-(N-(3-methylphenyl)anilino)phenyl]ethanol
CID 70214853
N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-octadecyl-N,N-diphenylaniline
CID 162035815

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[2-[3-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]ethyl]aniline?
The IUPAC name of N,N-diphenyl-4-[2-[3-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]ethyl]aniline (CID 14646517) is N,N-diphenyl-4-[2-[3-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]ethyl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[2-[3-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]ethyl]aniline?
The canonical SMILES for N,N-diphenyl-4-[2-[3-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]ethyl]aniline is c1ccc(N(c2ccccc2)c2ccc(CCc3cccc(CCc4ccc(N(c5ccccc5)c5ccccc5)cc4)c3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[2-[3-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]ethyl]aniline?
The InChIKey is LGUYWNRDTSNTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40N2/c1-5-16-41(17-6-1)47(42-18-7-2-8-19-42)45-32-28-37(29-33-45)24-26-39-14-13-15-40(36-39)27-25-38-30-34-46(35-31-38)48(43-20-9-3-10-21-43)44-22-11-4-12-23-44/h1-23,28-36H,24-27H2.
What are the key properties of N,N-diphenyl-4-[2-[3-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]ethyl]aniline?
N,N-diphenyl-4-[2-[3-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]ethyl]aniline has a molecular weight of 620.84 g/mol, XLogP of 12.20, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[2-[3-[2-[4-(N-phenylanilino)phenyl]ethyl]phenyl]ethyl]aniline is sourced from PubChem (CID 14646517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).