5-(5-naphthalen-2-yl-6,11-diphenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline

C62H38N2 — CID 89178164

IUPAC5-(5-naphthalen-2-yl-6,11-diphenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline
SMILESc1ccc(-c2ccc3c(-c4cccc5ncccc45)c4cc5c(-c6ccccc6)c(-c6ccc7ccccc7c6)c6ccccc6c5cc4c(-c4cccc5ncccc45)c3c2)cc1
InChIInChI=1S/C62H38N2/c1-3-15-39(16-4-1)43-31-32-51-53(36-43)62(50-24-12-28-58-47(50)26-14-34-64-58)55-37-52-45-21-9-10-22-48(45)60(44-30-29-40-17-7-8-20-42(40)35-44)59(41-18-5-2-6-19-41)54(52)38-56(55)61(51)49-23-11-27-57-46(49)25-13-33-63-57/h1-38H
InChIKeyYRNQDXZCDCCJMI-UHFFFAOYSA-N
MW811.00 g/mol
LogP16.88
Rot. Bonds5

About 5-(5-naphthalen-2-yl-6,11-diphenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline

5-(5-naphthalen-2-yl-6,11-diphenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline (PubChem CID 89178164) has the molecular formula C62H38N2 and a molecular weight of 811.00 g/mol. Its IUPAC name is 5-(5-naphthalen-2-yl-6,11-diphenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline.

Molecular Properties

Compound Name5-(5-naphthalen-2-yl-6,11-diphenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline
PubChem CID89178164
Molecular FormulaC62H38N2
Molecular Weight811.00 g/mol
Exact Mass810.30
IUPAC Name5-(5-naphthalen-2-yl-6,11-diphenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline
SMILESc1ccc(-c2ccc3c(-c4cccc5ncccc45)c4cc5c(-c6ccccc6)c(-c6ccc7ccccc7c6)c6ccccc6c5cc4c(-c4cccc5ncccc45)c3c2)cc1
InChIInChI=1S/C62H38N2/c1-3-15-39(16-4-1)43-31-32-51-53(36-43)62(50-24-12-28-58-47(50)26-14-34-64-58)55-37-52-45-21-9-10-22-48(45)60(44-30-29-40-17-7-8-20-42(40)35-44)59(41-18-5-2-6-19-41)54(52)38-56(55)61(51)49-23-11-27-57-46(49)25-13-33-63-57/h1-38H
InChIKeyYRNQDXZCDCCJMI-UHFFFAOYSA-N
XLogP16.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.00
LogP ≤ 516.88
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'}

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Related Compounds

5-(5-naphthalen-1-yl-6-phenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline
CID 89178088
5-naphthalen-2-yl-6,10-diphenyl-8,13-bis(4-phenylphenyl)benzo[a]tetracene
CID 123794949
5-naphthalen-2-yl-8,13-bis(4-naphthalen-1-ylphenyl)-6,11-diphenylbenzo[a]tetracene;5-naphthalen-2-yl-6,8,11,13-tetraphenylbenzo[a]tetracene;5,8,13-trinaphthalen-2-yl-6,11-diphenylbenzo[a]tetracene
CID 158939837
9,10-dinaphthalen-1-yl-2-phenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-phenylanthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenyl-10-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 161337169
2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-phenylpyridine
CID 90361507
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-phenylanthracene
CID 58322799
10-naphthalen-1-yl-9-naphthalen-2-yl-2-(4-phenylphenyl)anthracene
CID 59766348
9-naphthalen-1-yl-10-naphthalen-2-yl-2,6-diphenylanthracene
CID 123330330
6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]benzo[f]quinoline
CID 58323837
6-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]benzo[f]quinoline
CID 58323733
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
9,10-bis(4-phenylphenyl)-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-phenylanthracene;10-naphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)-9-phenylanthracene
CID 157246826

Frequently Asked Questions

What is the IUPAC name of 5-(5-naphthalen-2-yl-6,11-diphenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline?
The IUPAC name of 5-(5-naphthalen-2-yl-6,11-diphenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline (CID 89178164) is 5-(5-naphthalen-2-yl-6,11-diphenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline.
What is the SMILES notation for 5-(5-naphthalen-2-yl-6,11-diphenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline?
The canonical SMILES for 5-(5-naphthalen-2-yl-6,11-diphenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline is c1ccc(-c2ccc3c(-c4cccc5ncccc45)c4cc5c(-c6ccccc6)c(-c6ccc7ccccc7c6)c6ccccc6c5cc4c(-c4cccc5ncccc45)c3c2)cc1.
What is the InChIKey of 5-(5-naphthalen-2-yl-6,11-diphenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline?
The InChIKey is YRNQDXZCDCCJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N2/c1-3-15-39(16-4-1)43-31-32-51-53(36-43)62(50-24-12-28-58-47(50)26-14-34-64-58)55-37-52-45-21-9-10-22-48(45)60(44-30-29-40-17-7-8-20-42(40)35-44)59(41-18-5-2-6-19-41)54(52)38-56(55)61(51)49-23-11-27-57-46(49)25-13-33-63-57/h1-38H.
What are the key properties of 5-(5-naphthalen-2-yl-6,11-diphenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline?
5-(5-naphthalen-2-yl-6,11-diphenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline has a molecular weight of 811.00 g/mol, XLogP of 16.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-naphthalen-2-yl-6,11-diphenyl-8-quinolin-5-ylbenzo[a]tetracen-13-yl)quinoline is sourced from PubChem (CID 89178164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).