2-phenyl-N-[4-[[2-[(E)-2-(6-phenylnaphthalen-2-yl)ethenyl]phenyl]iminomethyl]phenyl]-N-(4-phenylphenyl)aniline

C55H40N2 — CID 170652699

IUPAC2-phenyl-N-[4-[[2-[(E)-2-(6-phenylnaphthalen-2-yl)ethenyl]phenyl]iminomethyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESC(=C/c1ccccc1/N=C/c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)cc1)\c1ccc2cc(-c3ccccc3)ccc2c1
InChIInChI=1S/C55H40N2/c1-4-14-43(15-5-1)45-32-36-52(37-33-45)57(55-23-13-11-21-53(55)46-18-8-3-9-19-46)51-34-26-42(27-35-51)40-56-54-22-12-10-20-47(54)28-24-41-25-29-50-39-49(31-30-48(50)38-41)44-16-6-2-7-17-44/h1-40H/b28-24+,56-40+
InChIKeyLMONZWACNQXLSW-XWFOBQAPSA-N
MW728.94 g/mol
LogP15.23
Rot. Bonds10

About 2-phenyl-N-[4-[[2-[(E)-2-(6-phenylnaphthalen-2-yl)ethenyl]phenyl]iminomethyl]phenyl]-N-(4-phenylphenyl)aniline

2-phenyl-N-[4-[[2-[(E)-2-(6-phenylnaphthalen-2-yl)ethenyl]phenyl]iminomethyl]phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 170652699) has the molecular formula C55H40N2 and a molecular weight of 728.94 g/mol. Its IUPAC name is 2-phenyl-N-[4-[[2-[(E)-2-(6-phenylnaphthalen-2-yl)ethenyl]phenyl]iminomethyl]phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name2-phenyl-N-[4-[[2-[(E)-2-(6-phenylnaphthalen-2-yl)ethenyl]phenyl]iminomethyl]phenyl]-N-(4-phenylphenyl)aniline
PubChem CID170652699
Molecular FormulaC55H40N2
Molecular Weight728.94 g/mol
Exact Mass728.32
IUPAC Name2-phenyl-N-[4-[[2-[(E)-2-(6-phenylnaphthalen-2-yl)ethenyl]phenyl]iminomethyl]phenyl]-N-(4-phenylphenyl)aniline
SMILESC(=C/c1ccccc1/N=C/c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)cc1)\c1ccc2cc(-c3ccccc3)ccc2c1
InChIInChI=1S/C55H40N2/c1-4-14-43(15-5-1)45-32-36-52(37-33-45)57(55-23-13-11-21-53(55)46-18-8-3-9-19-46)51-34-26-42(27-35-51)40-56-54-22-12-10-20-47(54)28-24-41-25-29-50-39-49(31-30-48(50)38-41)44-16-6-2-7-17-44/h1-40H/b28-24+,56-40+
InChIKeyLMONZWACNQXLSW-XWFOBQAPSA-N
XLogP15.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.94
LogP ≤ 515.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

16-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032610
N-[4-[4-(2,5-diphenylphenyl)phenyl]phenyl]-N-(4-naphthalen-2-ylphenyl)-2-phenylaniline
CID 167297415
2-phenyl-N-[3-[(E)-2-phenylethenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59705594
N,2-diphenyl-N-[4-[(E)-2-phenylethenyl]phenyl]aniline
CID 59705555
2-[(E)-2-phenylethenyl]-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59705601
2-(4-phenylphenyl)-6-[2-[6-(4-phenylphenyl)naphthalen-2-yl]ethenyl]naphthalene
CID 72565666
N-(3-naphthalen-2-ylphenyl)-N-[4-(2-naphthalen-2-ylphenyl)phenyl]-2-(4-phenylphenyl)aniline
CID 167271677
N-(4-benzo[g]phenanthren-3-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 167183106
2-[2-[6-(4-phenyl-N-(2-phenylphenyl)anilino)naphthalen-2-yl]ethenoxymethyl]benzaldehyde
CID 88970604
N-(4-naphthalen-2-ylphenyl)-N-[2-[2-[2-(4-phenylphenyl)phenyl]phenyl]phenyl]naphthalen-2-amine
CID 172502769
2-[2-(2,4-diphenylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 172500767
2-[(E)-2-phenylethenyl]-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 59705560

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-[[2-[(E)-2-(6-phenylnaphthalen-2-yl)ethenyl]phenyl]iminomethyl]phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 2-phenyl-N-[4-[[2-[(E)-2-(6-phenylnaphthalen-2-yl)ethenyl]phenyl]iminomethyl]phenyl]-N-(4-phenylphenyl)aniline (CID 170652699) is 2-phenyl-N-[4-[[2-[(E)-2-(6-phenylnaphthalen-2-yl)ethenyl]phenyl]iminomethyl]phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 2-phenyl-N-[4-[[2-[(E)-2-(6-phenylnaphthalen-2-yl)ethenyl]phenyl]iminomethyl]phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 2-phenyl-N-[4-[[2-[(E)-2-(6-phenylnaphthalen-2-yl)ethenyl]phenyl]iminomethyl]phenyl]-N-(4-phenylphenyl)aniline is C(=C/c1ccccc1/N=C/c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccccc2-c2ccccc2)cc1)\c1ccc2cc(-c3ccccc3)ccc2c1.
What is the InChIKey of 2-phenyl-N-[4-[[2-[(E)-2-(6-phenylnaphthalen-2-yl)ethenyl]phenyl]iminomethyl]phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is LMONZWACNQXLSW-XWFOBQAPSA-N. The full InChI is InChI=1S/C55H40N2/c1-4-14-43(15-5-1)45-32-36-52(37-33-45)57(55-23-13-11-21-53(55)46-18-8-3-9-19-46)51-34-26-42(27-35-51)40-56-54-22-12-10-20-47(54)28-24-41-25-29-50-39-49(31-30-48(50)38-41)44-16-6-2-7-17-44/h1-40H/b28-24+,56-40+.
What are the key properties of 2-phenyl-N-[4-[[2-[(E)-2-(6-phenylnaphthalen-2-yl)ethenyl]phenyl]iminomethyl]phenyl]-N-(4-phenylphenyl)aniline?
2-phenyl-N-[4-[[2-[(E)-2-(6-phenylnaphthalen-2-yl)ethenyl]phenyl]iminomethyl]phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 728.94 g/mol, XLogP of 15.23, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-[[2-[(E)-2-(6-phenylnaphthalen-2-yl)ethenyl]phenyl]iminomethyl]phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 170652699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).