N-[2,2-bis(4-fluorophenyl)ethenyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-4-methylaniline

C43H33F2N — CID 23517958

IUPACN-[2,2-bis(4-fluorophenyl)ethenyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-4-methylaniline
SMILESCc1ccc(N(C=C(c2ccc(F)cc2)c2ccc(F)cc2)c2ccc(/C=C/C=C(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C43H33F2N/c1-32-15-27-40(28-16-32)46(31-43(36-19-23-38(44)24-20-36)37-21-25-39(45)26-22-37)41-29-17-33(18-30-41)9-8-14-42(34-10-4-2-5-11-34)35-12-6-3-7-13-35/h2-31H,1H3/b9-8+
InChIKeyMEPSTACSRCHDBP-CMDGGOBGSA-N
MW601.74 g/mol
LogP11.65
Rot. Bonds9

About N-[2,2-bis(4-fluorophenyl)ethenyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-4-methylaniline

N-[2,2-bis(4-fluorophenyl)ethenyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-4-methylaniline (PubChem CID 23517958) has the molecular formula C43H33F2N and a molecular weight of 601.74 g/mol. Its IUPAC name is N-[2,2-bis(4-fluorophenyl)ethenyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-4-methylaniline.

Molecular Properties

Compound NameN-[2,2-bis(4-fluorophenyl)ethenyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-4-methylaniline
PubChem CID23517958
Molecular FormulaC43H33F2N
Molecular Weight601.74 g/mol
Exact Mass601.26
IUPAC NameN-[2,2-bis(4-fluorophenyl)ethenyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-4-methylaniline
SMILESCc1ccc(N(C=C(c2ccc(F)cc2)c2ccc(F)cc2)c2ccc(/C=C/C=C(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C43H33F2N/c1-32-15-27-40(28-16-32)46(31-43(36-19-23-38(44)24-20-36)37-21-25-39(45)26-22-37)41-29-17-33(18-30-41)9-8-14-42(34-10-4-2-5-11-34)35-12-6-3-7-13-35/h2-31H,1H3/b9-8+
InChIKeyMEPSTACSRCHDBP-CMDGGOBGSA-N
XLogP11.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.74
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2,2-bis(4-methylphenyl)ethenyl]-4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-(4-methoxyphenyl)aniline
CID 23517965
N-[2,2-bis(4-bromophenyl)ethenyl]-4-[(1E)-4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-phenylaniline
CID 23517941
4-(4,4-diphenylbuta-1,3-dienyl)-N-[4-[2-[4-[2-[4-[4-(4,4-diphenylbuta-1,3-dienyl)-N-(2,2-diphenylethenyl)anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(2,2-diphenylethenyl)aniline
CID 76826404
4-[4,4-bis(4-methylphenyl)buta-1,3-dienyl]-N-[2,2-bis(4-methylphenyl)ethenyl]-N-(4-methoxyphenyl)aniline
CID 59086916
N-[4-[2-[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]ethenyl]phenyl]-4-[2-(4-methylphenyl)ethenyl]-N-phenylaniline
CID 155077496
1,4-bis[(1E,3E)-1-(4-methylphenyl)-4-phenylbuta-1,3-dienyl]benzene
CID 11730962
N-[2,2-bis(4-chlorophenyl)ethenyl]-4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-(4-methoxyphenyl)aniline
CID 23517949
4-(4,4-diphenylbuta-1,3-dienyl)-N,N-bis[4-(4,4-diphenylbuta-1,3-dienyl)phenyl]aniline;ethane
CID 163992333
N-(2,2-diphenylethenyl)-N-phenyl-4-(4-phenyl-4-pyridin-2-ylbuta-1,3-dienyl)aniline
CID 59086901
4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N,N-bis[4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]phenyl]aniline
CID 87948560
4-[(1E)-4,4-diphenylbuta-1,3-dienyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-phenylaniline
CID 23371223
4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-N-[4-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]phenyl]-N-phenylaniline
CID 87948616

Frequently Asked Questions

What is the IUPAC name of N-[2,2-bis(4-fluorophenyl)ethenyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-4-methylaniline?
The IUPAC name of N-[2,2-bis(4-fluorophenyl)ethenyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-4-methylaniline (CID 23517958) is N-[2,2-bis(4-fluorophenyl)ethenyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-4-methylaniline.
What is the SMILES notation for N-[2,2-bis(4-fluorophenyl)ethenyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-4-methylaniline?
The canonical SMILES for N-[2,2-bis(4-fluorophenyl)ethenyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-4-methylaniline is Cc1ccc(N(C=C(c2ccc(F)cc2)c2ccc(F)cc2)c2ccc(/C=C/C=C(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[2,2-bis(4-fluorophenyl)ethenyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-4-methylaniline?
The InChIKey is MEPSTACSRCHDBP-CMDGGOBGSA-N. The full InChI is InChI=1S/C43H33F2N/c1-32-15-27-40(28-16-32)46(31-43(36-19-23-38(44)24-20-36)37-21-25-39(45)26-22-37)41-29-17-33(18-30-41)9-8-14-42(34-10-4-2-5-11-34)35-12-6-3-7-13-35/h2-31H,1H3/b9-8+.
What are the key properties of N-[2,2-bis(4-fluorophenyl)ethenyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-4-methylaniline?
N-[2,2-bis(4-fluorophenyl)ethenyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-4-methylaniline has a molecular weight of 601.74 g/mol, XLogP of 11.65, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-bis(4-fluorophenyl)ethenyl]-N-[4-[(1E)-4,4-diphenylbuta-1,3-dienyl]phenyl]-4-methylaniline is sourced from PubChem (CID 23517958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).