7-[4-(12-naphthalen-2-ylbenzo[j]phenanthridin-7-yl)naphthalen-1-yl]-12-phenylbenzo[j]phenanthridine

C60H36N2 — CID 59183772

IUPAC7-[4-(12-naphthalen-2-ylbenzo[j]phenanthridin-7-yl)naphthalen-1-yl]-12-phenylbenzo[j]phenanthridine
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5c4cnc4ccccc45)c4ccccc34)c3cnc4ccccc4c23)cc1
InChIInChI=1S/C60H36N2/c1-2-17-38(18-3-1)55-43-22-8-10-24-45(43)57(51-35-61-53-28-14-12-26-49(53)59(51)55)47-32-33-48(42-21-7-6-20-41(42)47)58-46-25-11-9-23-44(46)56(40-31-30-37-16-4-5-19-39(37)34-40)60-50-27-13-15-29-54(50)62-36-52(58)60/h1-36H
InChIKeyDIOCNMZIVXOBAE-UHFFFAOYSA-N
MW784.96 g/mol
LogP16.37
Rot. Bonds4

About 7-[4-(12-naphthalen-2-ylbenzo[j]phenanthridin-7-yl)naphthalen-1-yl]-12-phenylbenzo[j]phenanthridine

7-[4-(12-naphthalen-2-ylbenzo[j]phenanthridin-7-yl)naphthalen-1-yl]-12-phenylbenzo[j]phenanthridine (PubChem CID 59183772) has the molecular formula C60H36N2 and a molecular weight of 784.96 g/mol. Its IUPAC name is 7-[4-(12-naphthalen-2-ylbenzo[j]phenanthridin-7-yl)naphthalen-1-yl]-12-phenylbenzo[j]phenanthridine.

Molecular Properties

Compound Name7-[4-(12-naphthalen-2-ylbenzo[j]phenanthridin-7-yl)naphthalen-1-yl]-12-phenylbenzo[j]phenanthridine
PubChem CID59183772
Molecular FormulaC60H36N2
Molecular Weight784.96 g/mol
Exact Mass784.29
IUPAC Name7-[4-(12-naphthalen-2-ylbenzo[j]phenanthridin-7-yl)naphthalen-1-yl]-12-phenylbenzo[j]phenanthridine
SMILESc1ccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5c4cnc4ccccc45)c4ccccc34)c3cnc4ccccc4c23)cc1
InChIInChI=1S/C60H36N2/c1-2-17-38(18-3-1)55-43-22-8-10-24-45(43)57(51-35-61-53-28-14-12-26-49(53)59(51)55)47-32-33-48(42-21-7-6-20-41(42)47)58-46-25-11-9-23-44(46)56(40-31-30-37-16-4-5-19-39(37)34-40)60-50-27-13-15-29-54(50)62-36-52(58)60/h1-36H
InChIKeyDIOCNMZIVXOBAE-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'}

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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
7,12-bis(6-naphthalen-2-ylnaphthalen-2-yl)benzo[j]phenanthridine
CID 59183805
12-naphthalen-1-yl-7-(4-naphthalen-2-ylnaphthalen-1-yl)benzo[j]phenanthridine
CID 59183170
7-[3-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-12-phenylbenzo[j]phenanthridine
CID 59184043
7-[9,9-dimethyl-7-(12-naphthalen-2-ylbenzo[j]phenanthridin-7-yl)fluoren-2-yl]-12-naphthalen-2-ylbenzo[j]phenanthridine
CID 59182996
7-perylen-3-yl-12-phenylbenzo[j]phenanthridine
CID 59183304
7,12-bis(3,4-diphenylphenyl)benzo[j]phenanthridine
CID 59183234
12-phenyl-7-(4-phenylphenyl)benzo[j]phenanthridine
CID 59183703
7-(2,4-dimethylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine;7-(3,4-dimethylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine;7-(2-methylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine;7-(3-methylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine;7-(4-methylphenyl)-12-naphthalen-2-ylbenzo[j]phenanthridine;12-naphthalen-2-yl-7-(3,4,5-trimethylphenyl)benzo[j]phenanthridine
CID 158122690
7,12-bis(4-naphthalen-1-ylphenyl)benzo[j]phenanthridine
CID 59183884
7,12-bis[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]benzo[j]phenanthridine
CID 59183754

Frequently Asked Questions

What is the IUPAC name of 7-[4-(12-naphthalen-2-ylbenzo[j]phenanthridin-7-yl)naphthalen-1-yl]-12-phenylbenzo[j]phenanthridine?
The IUPAC name of 7-[4-(12-naphthalen-2-ylbenzo[j]phenanthridin-7-yl)naphthalen-1-yl]-12-phenylbenzo[j]phenanthridine (CID 59183772) is 7-[4-(12-naphthalen-2-ylbenzo[j]phenanthridin-7-yl)naphthalen-1-yl]-12-phenylbenzo[j]phenanthridine.
What is the SMILES notation for 7-[4-(12-naphthalen-2-ylbenzo[j]phenanthridin-7-yl)naphthalen-1-yl]-12-phenylbenzo[j]phenanthridine?
The canonical SMILES for 7-[4-(12-naphthalen-2-ylbenzo[j]phenanthridin-7-yl)naphthalen-1-yl]-12-phenylbenzo[j]phenanthridine is c1ccc(-c2c3ccccc3c(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5c4cnc4ccccc45)c4ccccc34)c3cnc4ccccc4c23)cc1.
What is the InChIKey of 7-[4-(12-naphthalen-2-ylbenzo[j]phenanthridin-7-yl)naphthalen-1-yl]-12-phenylbenzo[j]phenanthridine?
The InChIKey is DIOCNMZIVXOBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2/c1-2-17-38(18-3-1)55-43-22-8-10-24-45(43)57(51-35-61-53-28-14-12-26-49(53)59(51)55)47-32-33-48(42-21-7-6-20-41(42)47)58-46-25-11-9-23-44(46)56(40-31-30-37-16-4-5-19-39(37)34-40)60-50-27-13-15-29-54(50)62-36-52(58)60/h1-36H.
What are the key properties of 7-[4-(12-naphthalen-2-ylbenzo[j]phenanthridin-7-yl)naphthalen-1-yl]-12-phenylbenzo[j]phenanthridine?
7-[4-(12-naphthalen-2-ylbenzo[j]phenanthridin-7-yl)naphthalen-1-yl]-12-phenylbenzo[j]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 7-[4-(12-naphthalen-2-ylbenzo[j]phenanthridin-7-yl)naphthalen-1-yl]-12-phenylbenzo[j]phenanthridine is sourced from PubChem (CID 59183772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).