6-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)quinolin-8-yl]benzo[k]phenanthridine

C60H36N2 — CID 122665547

IUPAC6-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)quinolin-8-yl]benzo[k]phenanthridine
SMILESc1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5ccc(-c6nc7ccccc7c7c6ccc6ccccc67)c6ncccc56)ccc34)cccc2c1
InChIInChI=1S/C60H36N2/c1-4-19-41-37(14-1)17-11-25-45(41)57-47-22-7-8-23-48(47)58(46-26-12-18-38-15-2-5-20-42(38)46)54-36-40(30-31-49(54)57)43-33-34-53(59-50(43)27-13-35-61-59)60-52-32-29-39-16-3-6-21-44(39)56(52)51-24-9-10-28-55(51)62-60/h1-36H
InChIKeyNZYJMJVLBPFBKC-UHFFFAOYSA-N
MW784.96 g/mol
LogP16.37
Rot. Bonds4

About 6-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)quinolin-8-yl]benzo[k]phenanthridine

6-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)quinolin-8-yl]benzo[k]phenanthridine (PubChem CID 122665547) has the molecular formula C60H36N2 and a molecular weight of 784.96 g/mol. Its IUPAC name is 6-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)quinolin-8-yl]benzo[k]phenanthridine.

Molecular Properties

Compound Name6-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)quinolin-8-yl]benzo[k]phenanthridine
PubChem CID122665547
Molecular FormulaC60H36N2
Molecular Weight784.96 g/mol
Exact Mass784.29
IUPAC Name6-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)quinolin-8-yl]benzo[k]phenanthridine
SMILESc1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5ccc(-c6nc7ccccc7c7c6ccc6ccccc67)c6ncccc56)ccc34)cccc2c1
InChIInChI=1S/C60H36N2/c1-4-19-41-37(14-1)17-11-25-45(41)57-47-22-7-8-23-48(47)58(46-26-12-18-38-15-2-5-20-42(38)46)54-36-40(30-31-49(54)57)43-33-34-53(59-50(43)27-13-35-61-59)60-52-32-29-39-16-3-6-21-44(39)56(52)51-24-9-10-28-55(51)62-60/h1-36H
InChIKeyNZYJMJVLBPFBKC-UHFFFAOYSA-N
XLogP16.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.96
LogP ≤ 516.37
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 6-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)quinolin-8-yl]benzo[k]phenanthridine 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

6-[5-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)quinolin-8-yl]benzo[k]phenanthridine
CID 122665365
6-[4-(9,10-dinaphthalen-1-ylanthracen-2-yl)isoquinolin-1-yl]benzo[k]phenanthridine
CID 122665499
6-[3-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 135199013
6-[4-[6-(1,10-phenanthrolin-5-yl)naphthalen-2-yl]phenyl]benzo[k]phenanthridine
CID 146231062
6-[5-(1-phenylbenzimidazol-2-yl)quinolin-8-yl]benzo[k]phenanthridine
CID 122665500
6-[6-(9,10-dinaphthalen-1-ylanthracen-2-yl)naphthalen-2-yl]benzo[f]quinoline
CID 58323733
9-(4-naphthalen-1-ylphenyl)-7,12-diphenylnaphtho[2,3-h]quinoline
CID 89342073
12-naphthalen-1-yl-7-(4-naphthalen-2-ylnaphthalen-1-yl)benzo[j]phenanthridine
CID 59183170
6-[3-[6-(1,10-phenanthrolin-4-yl)-3-pyridinyl]phenyl]benzo[k]phenanthridine
CID 146408560
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
5,10-bis(6-naphthalen-1-ylnaphthalen-2-yl)benzo[g]quinoline
CID 59183508
9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene
CID 58875728

Frequently Asked Questions

What is the IUPAC name of 6-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)quinolin-8-yl]benzo[k]phenanthridine?
The IUPAC name of 6-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)quinolin-8-yl]benzo[k]phenanthridine (CID 122665547) is 6-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)quinolin-8-yl]benzo[k]phenanthridine.
What is the SMILES notation for 6-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)quinolin-8-yl]benzo[k]phenanthridine?
The canonical SMILES for 6-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)quinolin-8-yl]benzo[k]phenanthridine is c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5ccc(-c6nc7ccccc7c7c6ccc6ccccc67)c6ncccc56)ccc34)cccc2c1.
What is the InChIKey of 6-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)quinolin-8-yl]benzo[k]phenanthridine?
The InChIKey is NZYJMJVLBPFBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2/c1-4-19-41-37(14-1)17-11-25-45(41)57-47-22-7-8-23-48(47)58(46-26-12-18-38-15-2-5-20-42(38)46)54-36-40(30-31-49(54)57)43-33-34-53(59-50(43)27-13-35-61-59)60-52-32-29-39-16-3-6-21-44(39)56(52)51-24-9-10-28-55(51)62-60/h1-36H.
What are the key properties of 6-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)quinolin-8-yl]benzo[k]phenanthridine?
6-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)quinolin-8-yl]benzo[k]phenanthridine has a molecular weight of 784.96 g/mol, XLogP of 16.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(9,10-dinaphthalen-1-ylanthracen-2-yl)quinolin-8-yl]benzo[k]phenanthridine is sourced from PubChem (CID 122665547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).