N-[3-(C-but-1-enyl-N-methylcarbonimidoyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline

C36H32N2 — CID 123184423

IUPACN-[3-(C-but-1-enyl-N-methylcarbonimidoyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
SMILESCCC=C/C(=N\C)c1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C36H32N2/c1-3-4-21-35(37-2)31-18-13-19-33(27-31)38(32-25-23-29(24-26-32)28-14-7-5-8-15-28)36-22-12-11-20-34(36)30-16-9-6-10-17-30/h4-27H,3H2,1-2H3/b21-4?,37-35+
InChIKeyZDPRSUOIGMWCIJ-ZRDIIJSPSA-N
MW492.67 g/mol
LogP9.88
Rot. Bonds8

About N-[3-(C-but-1-enyl-N-methylcarbonimidoyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline

N-[3-(C-but-1-enyl-N-methylcarbonimidoyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 123184423) has the molecular formula C36H32N2 and a molecular weight of 492.67 g/mol. Its IUPAC name is N-[3-(C-but-1-enyl-N-methylcarbonimidoyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[3-(C-but-1-enyl-N-methylcarbonimidoyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
PubChem CID123184423
Molecular FormulaC36H32N2
Molecular Weight492.67 g/mol
Exact Mass492.26
IUPAC NameN-[3-(C-but-1-enyl-N-methylcarbonimidoyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline
SMILESCCC=C/C(=N\C)c1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C36H32N2/c1-3-4-21-35(37-2)31-18-13-19-33(27-31)38(32-25-23-29(24-26-32)28-14-7-5-8-15-28)36-22-12-11-20-34(36)30-16-9-6-10-17-30/h4-27H,3H2,1-2H3/b21-4?,37-35+
InChIKeyZDPRSUOIGMWCIJ-ZRDIIJSPSA-N
XLogP9.88
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.67
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-N-(3-phenylphenyl)-N-[4-[3-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 118924577
2-phenyl-N,N-bis(3-phenylphenyl)aniline;4-(4-phenylphenyl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-(2-phenylphenyl)-N-(3-phenylphenyl)aniline
CID 157451830
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(2-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline;2-phenyl-N-(3-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 159359391
2-phenyl-N-[3-[(E)-2-phenylethenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59705594
N-(3-phenylphenyl)-N-(4-phenylphenyl)-2-[2-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]aniline
CID 139322197
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002
N-(3-phenylphenyl)-2-[2-(2-phenylphenyl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 172502893
[3-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]-N-(2-phenylphenyl)anilino]phenyl]-phenylmethanone
CID 137396906
N-[4-(4-bromophenyl)phenyl]-2-phenyl-N-(3-phenylphenyl)aniline
CID 142746533
2-phenyl-N-(2-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 159522014
N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(3-phenylphenyl)aniline
CID 167324175
N-[4-[3,5-bis[4-(2-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]-2-phenyl-N-(2-phenylphenyl)aniline
CID 87182000

Frequently Asked Questions

What is the IUPAC name of N-[3-(C-but-1-enyl-N-methylcarbonimidoyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[3-(C-but-1-enyl-N-methylcarbonimidoyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline (CID 123184423) is N-[3-(C-but-1-enyl-N-methylcarbonimidoyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[3-(C-but-1-enyl-N-methylcarbonimidoyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[3-(C-but-1-enyl-N-methylcarbonimidoyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline is CCC=C/C(=N\C)c1cccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)c1.
What is the InChIKey of N-[3-(C-but-1-enyl-N-methylcarbonimidoyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is ZDPRSUOIGMWCIJ-ZRDIIJSPSA-N. The full InChI is InChI=1S/C36H32N2/c1-3-4-21-35(37-2)31-18-13-19-33(27-31)38(32-25-23-29(24-26-32)28-14-7-5-8-15-28)36-22-12-11-20-34(36)30-16-9-6-10-17-30/h4-27H,3H2,1-2H3/b21-4?,37-35+.
What are the key properties of N-[3-(C-but-1-enyl-N-methylcarbonimidoyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline?
N-[3-(C-but-1-enyl-N-methylcarbonimidoyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 492.67 g/mol, XLogP of 9.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(C-but-1-enyl-N-methylcarbonimidoyl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 123184423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).