N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]-2-[4-(N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]anilino)phenyl]-N-phenyl-1-benzofuran-5-amine

C60H48N2O — CID 123311606

IUPACN-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]-2-[4-(N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]anilino)phenyl]-N-phenyl-1-benzofuran-5-amine
SMILESCc1cc(C=CC=Cc2ccccc2)ccc1N(c1ccccc1)c1ccc(-c2cc3cc(N(c4ccccc4)c4ccc(C=CC=Cc5ccccc5)cc4C)ccc3o2)cc1
InChIInChI=1S/C60H48N2O/c1-45-41-49(25-17-15-23-47-19-7-3-8-20-47)31-38-57(45)61(53-27-11-5-12-28-53)55-35-33-51(34-36-55)60-44-52-43-56(37-40-59(52)63-60)62(54-29-13-6-14-30-54)58-39-32-50(42-46(58)2)26-18-16-24-48-21-9-4-10-22-48/h3-44H,1-2H3
InChIKeyHDSTYNLNWBFBKA-UHFFFAOYSA-N
MW813.06 g/mol
LogP17.11
Rot. Bonds13

About N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]-2-[4-(N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]anilino)phenyl]-N-phenyl-1-benzofuran-5-amine

N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]-2-[4-(N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]anilino)phenyl]-N-phenyl-1-benzofuran-5-amine (PubChem CID 123311606) has the molecular formula C60H48N2O and a molecular weight of 813.06 g/mol. Its IUPAC name is N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]-2-[4-(N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]anilino)phenyl]-N-phenyl-1-benzofuran-5-amine.

Molecular Properties

Compound NameN-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]-2-[4-(N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]anilino)phenyl]-N-phenyl-1-benzofuran-5-amine
PubChem CID123311606
Molecular FormulaC60H48N2O
Molecular Weight813.06 g/mol
Exact Mass812.38
IUPAC NameN-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]-2-[4-(N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]anilino)phenyl]-N-phenyl-1-benzofuran-5-amine
SMILESCc1cc(C=CC=Cc2ccccc2)ccc1N(c1ccccc1)c1ccc(-c2cc3cc(N(c4ccccc4)c4ccc(C=CC=Cc5ccccc5)cc4C)ccc3o2)cc1
InChIInChI=1S/C60H48N2O/c1-45-41-49(25-17-15-23-47-19-7-3-8-20-47)31-38-57(45)61(53-27-11-5-12-28-53)55-35-33-51(34-36-55)60-44-52-43-56(37-40-59(52)63-60)62(54-29-13-6-14-30-54)58-39-32-50(42-46(58)2)26-18-16-24-48-21-9-4-10-22-48/h3-44H,1-2H3
InChIKeyHDSTYNLNWBFBKA-UHFFFAOYSA-N
XLogP17.11
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.06
LogP ≤ 517.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]-2-[4-(N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]anilino)phenyl]-N-phenyl-1-benzofuran-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-4-[3-methyl-4-(N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]anilino)phenyl]-N-phenyl-N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 102298250
4-(1-benzofuran-2-yl)-N,N-diphenylaniline
CID 139080403
4-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-N-phenylaniline
CID 164744662
4-[6-(N-phenylanilino)-1-benzofuran-2-yl]benzaldehyde
CID 129115838
N-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 89074801
N-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91294217
2,5-dimethyl-N-[4-[(1E)-8-phenylocta-1,3,5,7-tetraenyl]phenyl]-N-[4-(8-phenylocta-1,3,5,7-tetraenyl)phenyl]aniline
CID 123769354
1-N,3-N-bis(4-methylphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1-N,3-N-bis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
CID 121368155
N,N-bis[4-[(E,3E)-3-(diphenylhydrazinylidene)prop-1-enyl]phenyl]-2,4-dimethylaniline
CID 118601843
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-[4-[(1Z,3Z)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 118284207
3-[2-(4-methylphenyl)ethenyl]-N-[4-[4-(N-[4-[2-(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59987783
N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]naphthalen-2-amine;N,N-bis[4-[4-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenylaniline
CID 165085656

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]-2-[4-(N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]anilino)phenyl]-N-phenyl-1-benzofuran-5-amine?
The IUPAC name of N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]-2-[4-(N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]anilino)phenyl]-N-phenyl-1-benzofuran-5-amine (CID 123311606) is N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]-2-[4-(N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]anilino)phenyl]-N-phenyl-1-benzofuran-5-amine.
What is the SMILES notation for N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]-2-[4-(N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]anilino)phenyl]-N-phenyl-1-benzofuran-5-amine?
The canonical SMILES for N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]-2-[4-(N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]anilino)phenyl]-N-phenyl-1-benzofuran-5-amine is Cc1cc(C=CC=Cc2ccccc2)ccc1N(c1ccccc1)c1ccc(-c2cc3cc(N(c4ccccc4)c4ccc(C=CC=Cc5ccccc5)cc4C)ccc3o2)cc1.
What is the InChIKey of N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]-2-[4-(N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]anilino)phenyl]-N-phenyl-1-benzofuran-5-amine?
The InChIKey is HDSTYNLNWBFBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N2O/c1-45-41-49(25-17-15-23-47-19-7-3-8-20-47)31-38-57(45)61(53-27-11-5-12-28-53)55-35-33-51(34-36-55)60-44-52-43-56(37-40-59(52)63-60)62(54-29-13-6-14-30-54)58-39-32-50(42-46(58)2)26-18-16-24-48-21-9-4-10-22-48/h3-44H,1-2H3.
What are the key properties of N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]-2-[4-(N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]anilino)phenyl]-N-phenyl-1-benzofuran-5-amine?
N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]-2-[4-(N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]anilino)phenyl]-N-phenyl-1-benzofuran-5-amine has a molecular weight of 813.06 g/mol, XLogP of 17.11, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]-2-[4-(N-[2-methyl-4-(4-phenylbuta-1,3-dienyl)phenyl]anilino)phenyl]-N-phenyl-1-benzofuran-5-amine is sourced from PubChem (CID 123311606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).