N,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-2,3-dihydro-1H-inden-4-amine

C41H35N — CID 59012950

IUPACN,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-2,3-dihydro-1H-inden-4-amine
SMILESC(/C=C/c1ccc(N(c2ccc(/C=C/C=C/c3ccccc3)cc2)c2cccc3c2CCC3)cc1)=C\c1ccccc1
InChIInChI=1S/C41H35N/c1-3-13-33(14-4-1)17-7-9-19-35-25-29-38(30-26-35)42(41-24-12-22-37-21-11-23-40(37)41)39-31-27-36(28-32-39)20-10-8-18-34-15-5-2-6-16-34/h1-10,12-20,22,24-32H,11,21,23H2/b17-7+,18-8+,19-9+,20-10+
InChIKeySHLLPFYBUMNBRA-PXOPUTQYSA-N
MW541.74 g/mol
LogP11.10
Rot. Bonds9

About N,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-2,3-dihydro-1H-inden-4-amine

N,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-2,3-dihydro-1H-inden-4-amine (PubChem CID 59012950) has the molecular formula C41H35N and a molecular weight of 541.74 g/mol. Its IUPAC name is N,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-2,3-dihydro-1H-inden-4-amine.

Molecular Properties

Compound NameN,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-2,3-dihydro-1H-inden-4-amine
PubChem CID59012950
Molecular FormulaC41H35N
Molecular Weight541.74 g/mol
Exact Mass541.28
IUPAC NameN,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-2,3-dihydro-1H-inden-4-amine
SMILESC(/C=C/c1ccc(N(c2ccc(/C=C/C=C/c3ccccc3)cc2)c2cccc3c2CCC3)cc1)=C\c1ccccc1
InChIInChI=1S/C41H35N/c1-3-13-33(14-4-1)17-7-9-19-35-25-29-38(30-26-35)42(41-24-12-22-37-21-11-23-40(37)41)39-31-27-36(28-32-39)20-10-8-18-34-15-5-2-6-16-34/h1-10,12-20,22,24-32H,11,21,23H2/b17-7+,18-8+,19-9+,20-10+
InChIKeySHLLPFYBUMNBRA-PXOPUTQYSA-N
XLogP11.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.74
LogP ≤ 511.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-2,3-dihydro-1H-inden-4-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

N-[4-[2-(4-methylphenyl)ethenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 54210687
N-[4-[2-(10-methylanthracen-9-yl)ethenyl]phenyl]-N-phenyl-5,6,7,8-tetrahydronaphthalen-1-amine
CID 76837378
4-[(1E,3E)-4-phenylbuta-1,3-dienyl]-N-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-N-[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline;4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]-N,N-bis[4-[(E)-2-[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]ethenyl]phenyl]aniline
CID 159424729
N-[4-(2,2-diphenylethenyl)phenyl]-N-[4-(2-ethoxyethyl)phenyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 15476311
N-phenyl-N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-5,6-dihydronaphthalen-1-amine
CID 89061027
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
2-(2-methylphenoxy)-N,N-bis[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline
CID 123318693
N-phenyl-N-[4-[10-[3-[10-[4-[N-(5,6,7,8-tetrahydronaphthalen-1-yl)anilino]phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-5,6,7,8-tetrahydronaphthalen-2-amine
CID 59194350
2-methyl-N-[4-[(E)-2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
CID 89074819
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
4-[N-(4-hydroxyphenyl)-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]anilino]phenol
CID 59460181
N,N-diphenyl-4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]aniline
CID 139195314

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-2,3-dihydro-1H-inden-4-amine?
The IUPAC name of N,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-2,3-dihydro-1H-inden-4-amine (CID 59012950) is N,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-2,3-dihydro-1H-inden-4-amine.
What is the SMILES notation for N,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-2,3-dihydro-1H-inden-4-amine?
The canonical SMILES for N,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-2,3-dihydro-1H-inden-4-amine is C(/C=C/c1ccc(N(c2ccc(/C=C/C=C/c3ccccc3)cc2)c2cccc3c2CCC3)cc1)=C\c1ccccc1.
What is the InChIKey of N,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-2,3-dihydro-1H-inden-4-amine?
The InChIKey is SHLLPFYBUMNBRA-PXOPUTQYSA-N. The full InChI is InChI=1S/C41H35N/c1-3-13-33(14-4-1)17-7-9-19-35-25-29-38(30-26-35)42(41-24-12-22-37-21-11-23-40(37)41)39-31-27-36(28-32-39)20-10-8-18-34-15-5-2-6-16-34/h1-10,12-20,22,24-32H,11,21,23H2/b17-7+,18-8+,19-9+,20-10+.
What are the key properties of N,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-2,3-dihydro-1H-inden-4-amine?
N,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-2,3-dihydro-1H-inden-4-amine has a molecular weight of 541.74 g/mol, XLogP of 11.10, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]-2,3-dihydro-1H-inden-4-amine is sourced from PubChem (CID 59012950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).