5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline

C63H39N3 — CID 59183593

IUPAC5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccncc67)cc5)c5cnccc45)cc3)c3cnccc23)cc1
InChIInChI=1S/C63H39N3/c1-3-13-40(14-4-1)58-46-17-7-10-20-49(46)61(55-37-64-34-31-52(55)58)43-25-23-42(24-26-43)60-48-19-9-12-22-51(48)63(57-39-66-36-33-54(57)60)45-29-27-44(28-30-45)62-50-21-11-8-18-47(50)59(41-15-5-2-6-16-41)53-32-35-65-38-56(53)62/h1-39H
InChIKeyWGUWJKXBZGVGBW-UHFFFAOYSA-N
MW838.03 g/mol
LogP16.79
Rot. Bonds6

About 5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline

5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline (PubChem CID 59183593) has the molecular formula C63H39N3 and a molecular weight of 838.03 g/mol. Its IUPAC name is 5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline.

Molecular Properties

Compound Name5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
PubChem CID59183593
Molecular FormulaC63H39N3
Molecular Weight838.03 g/mol
Exact Mass837.31
IUPAC Name5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccncc67)cc5)c5cnccc45)cc3)c3cnccc23)cc1
InChIInChI=1S/C63H39N3/c1-3-13-40(14-4-1)58-46-17-7-10-20-49(46)61(55-37-64-34-31-52(55)58)43-25-23-42(24-26-43)60-48-19-9-12-22-51(48)63(57-39-66-36-33-54(57)60)45-29-27-44(28-30-45)62-50-21-11-8-18-47(50)59(41-15-5-2-6-16-41)53-32-35-65-38-56(53)62/h1-39H
InChIKeyWGUWJKXBZGVGBW-UHFFFAOYSA-N
XLogP16.79
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.03
LogP ≤ 516.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline with MolForge

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Related Compounds

5,10-bis(2,6-diphenyl-4-pyridinyl)benzo[g]isoquinoline
CID 59183810
10-(4-naphthalen-2-ylphenyl)-5-phenylbenzo[g]isoquinoline
CID 59183268
5-naphthalen-2-yl-10-[3-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline
CID 59183021
7-(10-naphthalen-2-ylanthracen-9-yl)-5,10-diphenylbenzo[g]isoquinoline
CID 59182917
5,10-di(triphenylen-2-yl)benzo[g]isoquinoline
CID 59183594
5,10-bis[4-(trifluoromethyl)phenyl]benzo[g]isoquinoline
CID 59183616
7-naphthalen-2-yl-5,10-bis(4-phenylphenyl)benzo[g]isoquinoline
CID 59183030
10-isoquinolin-3-yl-5-phenylbenzo[g]isoquinoline
CID 59183169
5,10-di(pyridazin-4-yl)benzo[g]isoquinoline
CID 59183141
5,10-bis(3,4-dimethylphenyl)benzo[g]isoquinoline
CID 59183666
5,10-bis(4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9,11,13,15,17,19-nonaenyl)benzo[g]isoquinoline
CID 59182877
10-(9,9-dimethylfluoren-1-yl)-5-phenylbenzo[g]isoquinoline
CID 59183637

Frequently Asked Questions

What is the IUPAC name of 5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline?
The IUPAC name of 5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline (CID 59183593) is 5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline.
What is the SMILES notation for 5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline?
The canonical SMILES for 5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline is c1ccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6c7ccccc7c(-c7ccccc7)c7ccncc67)cc5)c5cnccc45)cc3)c3cnccc23)cc1.
What is the InChIKey of 5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline?
The InChIKey is WGUWJKXBZGVGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N3/c1-3-13-40(14-4-1)58-46-17-7-10-20-49(46)61(55-37-64-34-31-52(55)58)43-25-23-42(24-26-43)60-48-19-9-12-22-51(48)63(57-39-66-36-33-54(57)60)45-29-27-44(28-30-45)62-50-21-11-8-18-47(50)59(41-15-5-2-6-16-41)53-32-35-65-38-56(53)62/h1-39H.
What are the key properties of 5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline?
5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline has a molecular weight of 838.03 g/mol, XLogP of 16.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-bis[4-(5-phenylbenzo[g]isoquinolin-10-yl)phenyl]benzo[g]isoquinoline is sourced from PubChem (CID 59183593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).