5-(5-naphthalen-1-yl-6-phenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline

C56H34N2 — CID 89178088

IUPAC5-(5-naphthalen-1-yl-6-phenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline
SMILESc1ccc(-c2c(-c3cccc4ccccc34)c3ccccc3c3cc4c(-c5cccc6ncccc56)c5ccccc5c(-c5cccc6ncccc56)c4cc23)cc1
InChIInChI=1S/C56H34N2/c1-2-16-36(17-3-1)53-48-34-50-49(33-47(48)38-20-6-7-21-42(38)56(53)41-24-10-18-35-15-4-5-19-37(35)41)54(43-25-11-29-51-39(43)27-13-31-57-51)45-22-8-9-23-46(45)55(50)44-26-12-30-52-40(44)28-14-32-58-52/h1-34H
InChIKeyPFGHSRGKMGNRAX-UHFFFAOYSA-N
MW734.90 g/mol
LogP15.22
Rot. Bonds4

About 5-(5-naphthalen-1-yl-6-phenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline

5-(5-naphthalen-1-yl-6-phenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline (PubChem CID 89178088) has the molecular formula C56H34N2 and a molecular weight of 734.90 g/mol. Its IUPAC name is 5-(5-naphthalen-1-yl-6-phenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline.

Molecular Properties

Compound Name5-(5-naphthalen-1-yl-6-phenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline
PubChem CID89178088
Molecular FormulaC56H34N2
Molecular Weight734.90 g/mol
Exact Mass734.27
IUPAC Name5-(5-naphthalen-1-yl-6-phenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline
SMILESc1ccc(-c2c(-c3cccc4ccccc34)c3ccccc3c3cc4c(-c5cccc6ncccc56)c5ccccc5c(-c5cccc6ncccc56)c4cc23)cc1
InChIInChI=1S/C56H34N2/c1-2-16-36(17-3-1)53-48-34-50-49(33-47(48)38-20-6-7-21-42(38)56(53)41-24-10-18-35-15-4-5-19-37(35)41)54(43-25-11-29-51-39(43)27-13-31-57-51)45-22-8-9-23-46(45)55(50)44-26-12-30-52-40(44)28-14-32-58-52/h1-34H
InChIKeyPFGHSRGKMGNRAX-UHFFFAOYSA-N
XLogP15.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.90
LogP ≤ 515.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-(5-naphthalen-1-yl-6-phenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)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

5-(5-naphthalen-2-yl-6,11-diphenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline
CID 89178164
5-naphthalen-1-yl-12-phenyltetracene
CID 59307463
2-(9-naphthalen-1-yl-10-phenylanthracen-1-yl)-3-phenylpyridine
CID 87436583
6-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]benzo[f]quinoline
CID 58323733
7-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-phenylbenzo[j]phenanthridine
CID 59184043
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
4-(4-naphthalen-1-ylnaphthalen-1-yl)quinoline
CID 71174827
2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene
CID 58323119
1,2-dinaphthalen-1-yl-3-phenylchrysene
CID 166134369
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
5-[4-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 122416200
N-(10-naphthalen-1-ylanthracen-9-yl)-3-phenylpyridin-2-amine
CID 87440082

Frequently Asked Questions

What is the IUPAC name of 5-(5-naphthalen-1-yl-6-phenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline?
The IUPAC name of 5-(5-naphthalen-1-yl-6-phenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline (CID 89178088) is 5-(5-naphthalen-1-yl-6-phenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline.
What is the SMILES notation for 5-(5-naphthalen-1-yl-6-phenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline?
The canonical SMILES for 5-(5-naphthalen-1-yl-6-phenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline is c1ccc(-c2c(-c3cccc4ccccc34)c3ccccc3c3cc4c(-c5cccc6ncccc56)c5ccccc5c(-c5cccc6ncccc56)c4cc23)cc1.
What is the InChIKey of 5-(5-naphthalen-1-yl-6-phenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline?
The InChIKey is PFGHSRGKMGNRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2/c1-2-16-36(17-3-1)53-48-34-50-49(33-47(48)38-20-6-7-21-42(38)56(53)41-24-10-18-35-15-4-5-19-37(35)41)54(43-25-11-29-51-39(43)27-13-31-57-51)45-22-8-9-23-46(45)55(50)44-26-12-30-52-40(44)28-14-32-58-52/h1-34H.
What are the key properties of 5-(5-naphthalen-1-yl-6-phenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline?
5-(5-naphthalen-1-yl-6-phenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline has a molecular weight of 734.90 g/mol, XLogP of 15.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-naphthalen-1-yl-6-phenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline is sourced from PubChem (CID 89178088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).