1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-[4-(2,2-diphenylethenyl)phenyl]anthracen-2-yl]-3,4-dihydro-2H-quinoline

C52H42N2 — CID 89090667

IUPAC1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-[4-(2,2-diphenylethenyl)phenyl]anthracen-2-yl]-3,4-dihydro-2H-quinoline
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccc(N4CCCc5ccccc54)cc3cc3ccc(N4CCCc5ccccc54)cc23)cc1
InChIInChI=1S/C52H42N2/c1-3-13-38(14-4-1)48(39-15-5-2-6-16-39)33-37-23-25-42(26-24-37)52-47-30-29-45(53-31-11-19-40-17-7-9-21-50(40)53)35-44(47)34-43-27-28-46(36-49(43)52)54-32-12-20-41-18-8-10-22-51(41)54/h1-10,13-18,21-30,33-36H,11-12,19-20,31-32H2
InChIKeySXPIYBIXBKYQLG-UHFFFAOYSA-N
MW694.92 g/mol
LogP13.42
Rot. Bonds6

About 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-[4-(2,2-diphenylethenyl)phenyl]anthracen-2-yl]-3,4-dihydro-2H-quinoline

1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-[4-(2,2-diphenylethenyl)phenyl]anthracen-2-yl]-3,4-dihydro-2H-quinoline (PubChem CID 89090667) has the molecular formula C52H42N2 and a molecular weight of 694.92 g/mol. Its IUPAC name is 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-[4-(2,2-diphenylethenyl)phenyl]anthracen-2-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-[4-(2,2-diphenylethenyl)phenyl]anthracen-2-yl]-3,4-dihydro-2H-quinoline
PubChem CID89090667
Molecular FormulaC52H42N2
Molecular Weight694.92 g/mol
Exact Mass694.33
IUPAC Name1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-[4-(2,2-diphenylethenyl)phenyl]anthracen-2-yl]-3,4-dihydro-2H-quinoline
SMILESC(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccc(N4CCCc5ccccc54)cc3cc3ccc(N4CCCc5ccccc54)cc23)cc1
InChIInChI=1S/C52H42N2/c1-3-13-38(14-4-1)48(39-15-5-2-6-16-39)33-37-23-25-42(26-24-37)52-47-30-29-45(53-31-11-19-40-17-7-9-21-50(40)53)35-44(47)34-43-27-28-46(36-49(43)52)54-32-12-20-41-18-8-10-22-51(41)54/h1-10,13-18,21-30,33-36H,11-12,19-20,31-32H2
InChIKeySXPIYBIXBKYQLG-UHFFFAOYSA-N
XLogP13.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.92
LogP ≤ 513.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-[4-(2,2-diphenylethenyl)phenyl]anthracen-2-yl]-3,4-dihydro-2H-quinoline 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

CID 15723897
CID 15723897
CID 145792
CID 145792
CID 13710415
CID 13710415
CID 404332
CID 404332
CID 404333
CID 404333
CID 11250083
CID 11250083
CID 44394559
CID 44394559
CID 44396666
CID 44396666
CID 44396782
CID 44396782
CID 156010295
CID 156010295
CID 156013801
CID 156013801
CID 20027133
CID 20027133

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-[4-(2,2-diphenylethenyl)phenyl]anthracen-2-yl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-[4-(2,2-diphenylethenyl)phenyl]anthracen-2-yl]-3,4-dihydro-2H-quinoline (CID 89090667) is 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-[4-(2,2-diphenylethenyl)phenyl]anthracen-2-yl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-[4-(2,2-diphenylethenyl)phenyl]anthracen-2-yl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-[4-(2,2-diphenylethenyl)phenyl]anthracen-2-yl]-3,4-dihydro-2H-quinoline is C(=C(c1ccccc1)c1ccccc1)c1ccc(-c2c3ccc(N4CCCc5ccccc54)cc3cc3ccc(N4CCCc5ccccc54)cc23)cc1.
What is the InChIKey of 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-[4-(2,2-diphenylethenyl)phenyl]anthracen-2-yl]-3,4-dihydro-2H-quinoline?
The InChIKey is SXPIYBIXBKYQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42N2/c1-3-13-38(14-4-1)48(39-15-5-2-6-16-39)33-37-23-25-42(26-24-37)52-47-30-29-45(53-31-11-19-40-17-7-9-21-50(40)53)35-44(47)34-43-27-28-46(36-49(43)52)54-32-12-20-41-18-8-10-22-51(41)54/h1-10,13-18,21-30,33-36H,11-12,19-20,31-32H2.
What are the key properties of 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-[4-(2,2-diphenylethenyl)phenyl]anthracen-2-yl]-3,4-dihydro-2H-quinoline?
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-[4-(2,2-diphenylethenyl)phenyl]anthracen-2-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 694.92 g/mol, XLogP of 13.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,4-dihydro-2H-quinolin-1-yl)-9-[4-(2,2-diphenylethenyl)phenyl]anthracen-2-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 89090667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).