4-[(E)-2-[4-[4-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]piperazin-1-yl]phenyl]ethenyl]quinoline

C38H32N4 — CID 53315568

IUPAC4-[(E)-2-[4-[4-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]piperazin-1-yl]phenyl]ethenyl]quinoline
SMILESC(=C/c1ccnc2ccccc12)\c1ccc(N2CCN(c3ccc(/C=C/c4ccnc5ccccc45)cc3)CC2)cc1
InChIInChI=1S/C38H32N4/c1-3-7-37-35(5-1)31(21-23-39-37)15-9-29-11-17-33(18-12-29)41-25-27-42(28-26-41)34-19-13-30(14-20-34)10-16-32-22-24-40-38-8-4-2-6-36(32)38/h1-24H,25-28H2/b15-9+,16-10+
InChIKeyBXKUFPNXTAICPS-KAVGSWPWSA-N
MW544.70 g/mol
LogP8.45
Rot. Bonds6

About 4-[(E)-2-[4-[4-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]piperazin-1-yl]phenyl]ethenyl]quinoline

4-[(E)-2-[4-[4-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]piperazin-1-yl]phenyl]ethenyl]quinoline (PubChem CID 53315568) has the molecular formula C38H32N4 and a molecular weight of 544.70 g/mol. Its IUPAC name is 4-[(E)-2-[4-[4-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]piperazin-1-yl]phenyl]ethenyl]quinoline.

Molecular Properties

Compound Name4-[(E)-2-[4-[4-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]piperazin-1-yl]phenyl]ethenyl]quinoline
PubChem CID53315568
Molecular FormulaC38H32N4
Molecular Weight544.70 g/mol
Exact Mass544.26
IUPAC Name4-[(E)-2-[4-[4-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]piperazin-1-yl]phenyl]ethenyl]quinoline
SMILESC(=C/c1ccnc2ccccc12)\c1ccc(N2CCN(c3ccc(/C=C/c4ccnc5ccccc45)cc3)CC2)cc1
InChIInChI=1S/C38H32N4/c1-3-7-37-35(5-1)31(21-23-39-37)15-9-29-11-17-33(18-12-29)41-25-27-42(28-26-41)34-19-13-30(14-20-34)10-16-32-22-24-40-38-8-4-2-6-36(32)38/h1-24H,25-28H2/b15-9+,16-10+
InChIKeyBXKUFPNXTAICPS-KAVGSWPWSA-N
XLogP8.45
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.70
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

4,7-Diphenyl-1,10-phenanthroline
CID 72812
1,7-Phenanthroline
CID 67473
Bis(7)-tacrine
CID 9549196
4-(4-Dimethylaminostyryl)quinoline
CID 668053
Phenanthridine
CID 9189
Cryptocyanin
CID 5351156
N-3-Pyridinyl-9-acridinamine
CID 53313
Ucl1848
CID 9811445
2,3-Dipyridyl-6,7-dimethylquinoxaline
CID 81109
Methylbis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amine
CID 10481357
N-[8-(1,2,3,4-tetrahydroacridin-9-ylamino)octyl]-1,2,3,4-tetrahydroacridin-9-amine
CID 10625415
Ethylbis[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amine
CID 11191634

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-[4-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]piperazin-1-yl]phenyl]ethenyl]quinoline?
The IUPAC name of 4-[(E)-2-[4-[4-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]piperazin-1-yl]phenyl]ethenyl]quinoline (CID 53315568) is 4-[(E)-2-[4-[4-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]piperazin-1-yl]phenyl]ethenyl]quinoline.
What is the SMILES notation for 4-[(E)-2-[4-[4-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]piperazin-1-yl]phenyl]ethenyl]quinoline?
The canonical SMILES for 4-[(E)-2-[4-[4-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]piperazin-1-yl]phenyl]ethenyl]quinoline is C(=C/c1ccnc2ccccc12)\c1ccc(N2CCN(c3ccc(/C=C/c4ccnc5ccccc45)cc3)CC2)cc1.
What is the InChIKey of 4-[(E)-2-[4-[4-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]piperazin-1-yl]phenyl]ethenyl]quinoline?
The InChIKey is BXKUFPNXTAICPS-KAVGSWPWSA-N. The full InChI is InChI=1S/C38H32N4/c1-3-7-37-35(5-1)31(21-23-39-37)15-9-29-11-17-33(18-12-29)41-25-27-42(28-26-41)34-19-13-30(14-20-34)10-16-32-22-24-40-38-8-4-2-6-36(32)38/h1-24H,25-28H2/b15-9+,16-10+.
What are the key properties of 4-[(E)-2-[4-[4-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]piperazin-1-yl]phenyl]ethenyl]quinoline?
4-[(E)-2-[4-[4-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]piperazin-1-yl]phenyl]ethenyl]quinoline has a molecular weight of 544.70 g/mol, XLogP of 8.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-[4-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]piperazin-1-yl]phenyl]ethenyl]quinoline is sourced from PubChem (CID 53315568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).