7,12-bis(6-naphthalen-2-ylnaphthalen-2-yl)benzo[j]phenanthridine

C57H35N — CID 59183805

IUPAC7,12-bis(6-naphthalen-2-ylnaphthalen-2-yl)benzo[j]phenanthridine
SMILESc1ccc2cc(-c3ccc4cc(-c5c6ccccc6c(-c6ccc7cc(-c8ccc9ccccc9c8)ccc7c6)c6c5cnc5ccccc56)ccc4c3)ccc2c1
InChIInChI=1S/C57H35N/c1-3-11-38-29-40(19-17-36(38)9-1)42-21-23-46-33-48(27-25-44(46)31-42)55-50-13-5-6-14-51(50)56(57-52-15-7-8-16-54(52)58-35-53(55)57)49-28-26-45-32-43(22-24-47(45)34-49)41-20-18-37-10-2-4-12-39(37)30-41/h1-35H
InChIKeyMLGAAVHZOPIULG-UHFFFAOYSA-N
MW733.91 g/mol
LogP15.82
Rot. Bonds4

About 7,12-bis(6-naphthalen-2-ylnaphthalen-2-yl)benzo[j]phenanthridine

7,12-bis(6-naphthalen-2-ylnaphthalen-2-yl)benzo[j]phenanthridine (PubChem CID 59183805) has the molecular formula C57H35N and a molecular weight of 733.91 g/mol. Its IUPAC name is 7,12-bis(6-naphthalen-2-ylnaphthalen-2-yl)benzo[j]phenanthridine.

Molecular Properties

Compound Name7,12-bis(6-naphthalen-2-ylnaphthalen-2-yl)benzo[j]phenanthridine
PubChem CID59183805
Molecular FormulaC57H35N
Molecular Weight733.91 g/mol
Exact Mass733.28
IUPAC Name7,12-bis(6-naphthalen-2-ylnaphthalen-2-yl)benzo[j]phenanthridine
SMILESc1ccc2cc(-c3ccc4cc(-c5c6ccccc6c(-c6ccc7cc(-c8ccc9ccccc9c8)ccc7c6)c6c5cnc5ccccc56)ccc4c3)ccc2c1
InChIInChI=1S/C57H35N/c1-3-11-38-29-40(19-17-36(38)9-1)42-21-23-46-33-48(27-25-44(46)31-42)55-50-13-5-6-14-51(50)56(57-52-15-7-8-16-54(52)58-35-53(55)57)49-28-26-45-32-43(22-24-47(45)34-49)41-20-18-37-10-2-4-12-39(37)30-41/h1-35H
InChIKeyMLGAAVHZOPIULG-UHFFFAOYSA-N
XLogP15.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.91
LogP ≤ 515.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

7-(3-naphthalen-2-ylphenyl)-12-phenylbenzo[j]phenanthridine
CID 59183474
7-(4-methylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine
CID 59183166
7-[4-(12-naphthalen-2-ylbenzo[j]phenanthridin-7-yl)naphthalen-1-yl]-12-phenylbenzo[j]phenanthridine
CID 59183772
7-[9,9-dimethyl-7-(12-naphthalen-2-ylbenzo[j]phenanthridin-7-yl)fluoren-2-yl]-12-naphthalen-2-ylbenzo[j]phenanthridine
CID 59182996
12-naphthalen-1-yl-7-(4-naphthalen-2-ylnaphthalen-1-yl)benzo[j]phenanthridine
CID 59183170
7,12-bis[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]benzo[j]phenanthridine
CID 59183754
12-phenyl-7-(4-phenylphenyl)benzo[j]phenanthridine
CID 59183703
7,12-bis(4-methoxyphenyl)benzo[j]phenanthridine
CID 59182915
7,12-bis(4-naphthalen-1-ylphenyl)benzo[j]phenanthridine
CID 59183884
7,12-bis(3,4-diphenylphenyl)benzo[j]phenanthridine
CID 59183234
7-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-phenylbenzo[j]phenanthridine
CID 59184043
7,12-di(anthracen-9-yl)benzo[j]phenanthridine
CID 59183577

Frequently Asked Questions

What is the IUPAC name of 7,12-bis(6-naphthalen-2-ylnaphthalen-2-yl)benzo[j]phenanthridine?
The IUPAC name of 7,12-bis(6-naphthalen-2-ylnaphthalen-2-yl)benzo[j]phenanthridine (CID 59183805) is 7,12-bis(6-naphthalen-2-ylnaphthalen-2-yl)benzo[j]phenanthridine.
What is the SMILES notation for 7,12-bis(6-naphthalen-2-ylnaphthalen-2-yl)benzo[j]phenanthridine?
The canonical SMILES for 7,12-bis(6-naphthalen-2-ylnaphthalen-2-yl)benzo[j]phenanthridine is c1ccc2cc(-c3ccc4cc(-c5c6ccccc6c(-c6ccc7cc(-c8ccc9ccccc9c8)ccc7c6)c6c5cnc5ccccc56)ccc4c3)ccc2c1.
What is the InChIKey of 7,12-bis(6-naphthalen-2-ylnaphthalen-2-yl)benzo[j]phenanthridine?
The InChIKey is MLGAAVHZOPIULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N/c1-3-11-38-29-40(19-17-36(38)9-1)42-21-23-46-33-48(27-25-44(46)31-42)55-50-13-5-6-14-51(50)56(57-52-15-7-8-16-54(52)58-35-53(55)57)49-28-26-45-32-43(22-24-47(45)34-49)41-20-18-37-10-2-4-12-39(37)30-41/h1-35H.
What are the key properties of 7,12-bis(6-naphthalen-2-ylnaphthalen-2-yl)benzo[j]phenanthridine?
7,12-bis(6-naphthalen-2-ylnaphthalen-2-yl)benzo[j]phenanthridine has a molecular weight of 733.91 g/mol, XLogP of 15.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,12-bis(6-naphthalen-2-ylnaphthalen-2-yl)benzo[j]phenanthridine is sourced from PubChem (CID 59183805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).