12-[3-(4,9-dinaphthalen-2-ylanthracen-2-yl)phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

C60H36N2 — CID 122466506

IUPAC12-[3-(4,9-dinaphthalen-2-ylanthracen-2-yl)phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1ccc(-c2nc(-c3cccc(-c4cc(-c5ccc6ccccc6c5)c5cc6ccccc6c(-c6ccc7ccccc7c6)c5c4)c3)nc3c2-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C60H36N2/c1-2-15-40(16-3-1)58-57-50-25-11-20-39-21-12-26-51(55(39)50)59(57)62-60(61-58)47-23-10-22-43(33-47)48-35-52(45-29-27-37-13-4-6-17-41(37)31-45)53-34-44-19-8-9-24-49(44)56(54(53)36-48)46-30-28-38-14-5-7-18-42(38)32-46/h1-36H
InChIKeyURRHVQFNYRNTBE-UHFFFAOYSA-N
MW784.96 g/mol
LogP16.23
Rot. Bonds5

About 12-[3-(4,9-dinaphthalen-2-ylanthracen-2-yl)phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene

12-[3-(4,9-dinaphthalen-2-ylanthracen-2-yl)phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (PubChem CID 122466506) has the molecular formula C60H36N2 and a molecular weight of 784.96 g/mol. Its IUPAC name is 12-[3-(4,9-dinaphthalen-2-ylanthracen-2-yl)phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.

Molecular Properties

Compound Name12-[3-(4,9-dinaphthalen-2-ylanthracen-2-yl)phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
PubChem CID122466506
Molecular FormulaC60H36N2
Molecular Weight784.96 g/mol
Exact Mass784.29
IUPAC Name12-[3-(4,9-dinaphthalen-2-ylanthracen-2-yl)phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
SMILESc1ccc(-c2nc(-c3cccc(-c4cc(-c5ccc6ccccc6c5)c5cc6ccccc6c(-c6ccc7ccccc7c6)c5c4)c3)nc3c2-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C60H36N2/c1-2-15-40(16-3-1)58-57-50-25-11-20-39-21-12-26-51(55(39)50)59(57)62-60(61-58)47-23-10-22-43(33-47)48-35-52(45-29-27-37-13-4-6-17-41(37)31-45)53-34-44-19-8-9-24-49(44)56(54(53)36-48)46-30-28-38-14-5-7-18-42(38)32-46/h1-36H
InChIKeyURRHVQFNYRNTBE-UHFFFAOYSA-N
XLogP16.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.96
LogP ≤ 516.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 12-[3-(4,9-dinaphthalen-2-ylanthracen-2-yl)phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene with MolForge

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Related Compounds

12-[3-(10-anthracen-2-ylanthracen-9-yl)phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122466508
14-[4-(10-anthracen-1-ylanthracen-9-yl)phenyl]-12-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122466510
3-naphthalen-2-yl-1-phenanthren-2-yl-10-phenylanthracene
CID 140776296
9-[3-(6-naphthalen-2-yl-4,8-diphenylnaphthalen-2-yl)phenyl]phenanthrene
CID 58160982
2-(3-naphthalen-1-yl-5-naphthalen-2-ylphenyl)-4-phenanthren-9-yl-5,6-diphenylpyrimidine
CID 155141013
2-(7-naphthalen-2-ylnaphthalen-2-yl)-4-phenyl-6-[3-(3-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171730881
2-naphthalen-2-yl-4-[3-(6-naphthalen-1-yl-4-phenylnaphthalen-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 169040010
2-naphthalen-2-yl-4-(4-naphthalen-2-ylnaphthalen-2-yl)-6-(3-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 176587633
12-[4-[3,8-bis(2-phenylphenyl)pyren-1-yl]phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122466527
2-naphthalen-2-yl-4-(3-phenanthren-9-ylphenyl)-6-phenyl-1,3,5-triazine
CID 165044168
9-(3-naphthalen-2-ylphenyl)-10-(6-phenanthren-4-ylnaphthalen-2-yl)anthracene
CID 58194478
4-[9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracen-2-yl]benzo[a]anthracene
CID 156676923

Frequently Asked Questions

What is the IUPAC name of 12-[3-(4,9-dinaphthalen-2-ylanthracen-2-yl)phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The IUPAC name of 12-[3-(4,9-dinaphthalen-2-ylanthracen-2-yl)phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene (CID 122466506) is 12-[3-(4,9-dinaphthalen-2-ylanthracen-2-yl)phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene.
What is the SMILES notation for 12-[3-(4,9-dinaphthalen-2-ylanthracen-2-yl)phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The canonical SMILES for 12-[3-(4,9-dinaphthalen-2-ylanthracen-2-yl)phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is c1ccc(-c2nc(-c3cccc(-c4cc(-c5ccc6ccccc6c5)c5cc6ccccc6c(-c6ccc7ccccc7c6)c5c4)c3)nc3c2-c2cccc4cccc-3c24)cc1.
What is the InChIKey of 12-[3-(4,9-dinaphthalen-2-ylanthracen-2-yl)phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
The InChIKey is URRHVQFNYRNTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2/c1-2-15-40(16-3-1)58-57-50-25-11-20-39-21-12-26-51(55(39)50)59(57)62-60(61-58)47-23-10-22-43(33-47)48-35-52(45-29-27-37-13-4-6-17-41(37)31-45)53-34-44-19-8-9-24-49(44)56(54(53)36-48)46-30-28-38-14-5-7-18-42(38)32-46/h1-36H.
What are the key properties of 12-[3-(4,9-dinaphthalen-2-ylanthracen-2-yl)phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene?
12-[3-(4,9-dinaphthalen-2-ylanthracen-2-yl)phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene has a molecular weight of 784.96 g/mol, XLogP of 16.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-(4,9-dinaphthalen-2-ylanthracen-2-yl)phenyl]-14-phenyl-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene is sourced from PubChem (CID 122466506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).