4-prop-2-enyl-N-(4-prop-2-enylphenyl)-N-[4-[4-(4-prop-2-enyl-N-(4-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline

C48H44N2 — CID 58113467

IUPAC4-prop-2-enyl-N-(4-prop-2-enylphenyl)-N-[4-[4-(4-prop-2-enyl-N-(4-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline
SMILESC=CCc1ccc(N(c2ccc(CC=C)cc2)c2ccc(-c3ccc(N(c4ccc(CC=C)cc4)c4ccc(CC=C)cc4)cc3)cc2)cc1
InChIInChI=1S/C48H44N2/c1-5-9-37-13-25-43(26-14-37)49(44-27-15-38(10-6-2)16-28-44)47-33-21-41(22-34-47)42-23-35-48(36-24-42)50(45-29-17-39(11-7-3)18-30-45)46-31-19-40(12-8-4)20-32-46/h5-8,13-36H,1-4,9-12H2
InChIKeyFALCCCNUJSHBTG-UHFFFAOYSA-N
MW648.89 g/mol
LogP13.21
Rot. Bonds15

About 4-prop-2-enyl-N-(4-prop-2-enylphenyl)-N-[4-[4-(4-prop-2-enyl-N-(4-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline

4-prop-2-enyl-N-(4-prop-2-enylphenyl)-N-[4-[4-(4-prop-2-enyl-N-(4-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline (PubChem CID 58113467) has the molecular formula C48H44N2 and a molecular weight of 648.89 g/mol. Its IUPAC name is 4-prop-2-enyl-N-(4-prop-2-enylphenyl)-N-[4-[4-(4-prop-2-enyl-N-(4-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-prop-2-enyl-N-(4-prop-2-enylphenyl)-N-[4-[4-(4-prop-2-enyl-N-(4-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline
PubChem CID58113467
Molecular FormulaC48H44N2
Molecular Weight648.89 g/mol
Exact Mass648.35
IUPAC Name4-prop-2-enyl-N-(4-prop-2-enylphenyl)-N-[4-[4-(4-prop-2-enyl-N-(4-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline
SMILESC=CCc1ccc(N(c2ccc(CC=C)cc2)c2ccc(-c3ccc(N(c4ccc(CC=C)cc4)c4ccc(CC=C)cc4)cc3)cc2)cc1
InChIInChI=1S/C48H44N2/c1-5-9-37-13-25-43(26-14-37)49(44-27-15-38(10-6-2)16-28-44)47-33-21-41(22-34-47)42-23-35-48(36-24-42)50(45-29-17-39(11-7-3)18-30-45)46-31-19-40(12-8-4)20-32-46/h5-8,13-36H,1-4,9-12H2
InChIKeyFALCCCNUJSHBTG-UHFFFAOYSA-N
XLogP13.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.89
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(1-prop-2-enyl-4-(4-prop-2-enylphenyl)benzene);hydrate
CID 174815878
4-[4-(4-prop-2-enylphenyl)phenyl]aniline
CID 123704346
N-dibenzofuran-3-yl-7-phenyl-N-(4-prop-2-enylphenyl)dibenzofuran-3-amine
CID 163686857
methane;1-methyl-4-prop-2-enylbenzene
CID 165001357
1,2-bis[4-(4-prop-2-enylphenyl)phenyl]ethane-1,2-dione
CID 67848404
1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene
CID 67815398
N,N-diphenyl-4-[4-[4-[(N-phenylanilino)methyl]phenyl]phenyl]aniline
CID 155085132
(4-prop-2-enylphenyl)boronic acid
CID 21186363
N,11,11-triphenyl-N-[4-[4-(N-(4-prop-2-enylphenyl)anilino)phenyl]phenyl]benzo[a]fluoren-9-amine
CID 143561130
N-phenyl-2-prop-2-enyl-N-[4-[4-(N-(2-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline
CID 66634309
prop-2-enylbenzene
CID 159998516
bis(4-prop-2-enylphenyl)iodanium
CID 87130865

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-N-(4-prop-2-enylphenyl)-N-[4-[4-(4-prop-2-enyl-N-(4-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline?
The IUPAC name of 4-prop-2-enyl-N-(4-prop-2-enylphenyl)-N-[4-[4-(4-prop-2-enyl-N-(4-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline (CID 58113467) is 4-prop-2-enyl-N-(4-prop-2-enylphenyl)-N-[4-[4-(4-prop-2-enyl-N-(4-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline.
What is the SMILES notation for 4-prop-2-enyl-N-(4-prop-2-enylphenyl)-N-[4-[4-(4-prop-2-enyl-N-(4-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline?
The canonical SMILES for 4-prop-2-enyl-N-(4-prop-2-enylphenyl)-N-[4-[4-(4-prop-2-enyl-N-(4-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline is C=CCc1ccc(N(c2ccc(CC=C)cc2)c2ccc(-c3ccc(N(c4ccc(CC=C)cc4)c4ccc(CC=C)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-prop-2-enyl-N-(4-prop-2-enylphenyl)-N-[4-[4-(4-prop-2-enyl-N-(4-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline?
The InChIKey is FALCCCNUJSHBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H44N2/c1-5-9-37-13-25-43(26-14-37)49(44-27-15-38(10-6-2)16-28-44)47-33-21-41(22-34-47)42-23-35-48(36-24-42)50(45-29-17-39(11-7-3)18-30-45)46-31-19-40(12-8-4)20-32-46/h5-8,13-36H,1-4,9-12H2.
What are the key properties of 4-prop-2-enyl-N-(4-prop-2-enylphenyl)-N-[4-[4-(4-prop-2-enyl-N-(4-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline?
4-prop-2-enyl-N-(4-prop-2-enylphenyl)-N-[4-[4-(4-prop-2-enyl-N-(4-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline has a molecular weight of 648.89 g/mol, XLogP of 13.21, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-N-(4-prop-2-enylphenyl)-N-[4-[4-(4-prop-2-enyl-N-(4-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline is sourced from PubChem (CID 58113467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).