8-(7-phenylpyren-2-yl)-17-(6-pyridin-2-ylnaphthalen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

C52H31N3 — CID 122524605

IUPAC8-(7-phenylpyren-2-yl)-17-(6-pyridin-2-ylnaphthalen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESc1ccc(-c2cc3ccc4cc(-c5cc6c7cnccc7n(-c7ccc8cc(-c9ccccn9)ccc8c7)c6c6ccccc56)cc5ccc(c2)c3c45)cc1
InChIInChI=1S/C52H31N3/c1-2-8-32(9-3-1)40-25-36-15-17-38-27-41(28-39-18-16-37(26-40)50(36)51(38)39)45-30-46-47-31-53-23-21-49(47)55(52(46)44-11-5-4-10-43(44)45)42-20-19-33-24-35(14-13-34(33)29-42)48-12-6-7-22-54-48/h1-31H
InChIKeySZPOQROTWHSJGZ-UHFFFAOYSA-N
MW697.84 g/mol
LogP13.78
Rot. Bonds4

About 8-(7-phenylpyren-2-yl)-17-(6-pyridin-2-ylnaphthalen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene

8-(7-phenylpyren-2-yl)-17-(6-pyridin-2-ylnaphthalen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (PubChem CID 122524605) has the molecular formula C52H31N3 and a molecular weight of 697.84 g/mol. Its IUPAC name is 8-(7-phenylpyren-2-yl)-17-(6-pyridin-2-ylnaphthalen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.

Molecular Properties

Compound Name8-(7-phenylpyren-2-yl)-17-(6-pyridin-2-ylnaphthalen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
PubChem CID122524605
Molecular FormulaC52H31N3
Molecular Weight697.84 g/mol
Exact Mass697.25
IUPAC Name8-(7-phenylpyren-2-yl)-17-(6-pyridin-2-ylnaphthalen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
SMILESc1ccc(-c2cc3ccc4cc(-c5cc6c7cnccc7n(-c7ccc8cc(-c9ccccn9)ccc8c7)c6c6ccccc56)cc5ccc(c2)c3c45)cc1
InChIInChI=1S/C52H31N3/c1-2-8-32(9-3-1)40-25-36-15-17-38-27-41(28-39-18-16-37(26-40)50(36)51(38)39)45-30-46-47-31-53-23-21-49(47)55(52(46)44-11-5-4-10-43(44)45)42-20-19-33-24-35(14-13-34(33)29-42)48-12-6-7-22-54-48/h1-31H
InChIKeySZPOQROTWHSJGZ-UHFFFAOYSA-N
XLogP13.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.84
LogP ≤ 513.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-(7-phenylpyren-2-yl)-17-(6-pyridin-2-ylnaphthalen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene with MolForge

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Related Compounds

5-[3-[2-(4-phenylphenyl)-6-pyridin-2-yl-4-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 59326106
5-[3-(2-phenanthren-2-yl-6-pyridin-2-yl-4-pyridinyl)phenyl]pyrido[4,3-b]indole
CID 59326078
11-phenyl-9-pyridin-2-yl-3-(6-pyridin-4-ylnaphthalen-2-yl)benzo[a]carbazole
CID 163515098
8-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]-17-phenyl-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 122524579
22-phenyl-8-(6-pyridin-2-ylnaphthalen-2-yl)-4,8,12,22-tetrazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2(7),3,5,9(14),10,12,16,18,20-decaene
CID 129254837
2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine
CID 58028909
2-[4-[7-phenyl-3-(4-phenylphenyl)pyren-1-yl]phenyl]pyridine;3-[7-(4-phenylphenyl)-3-pyridin-3-ylpyren-1-yl]pyridine;3-[7-phenyl-3-(4-pyridin-3-ylphenyl)pyren-1-yl]pyridine
CID 157121203
1,3-diphenyl-9-[4-(4-phenyl-1,6-naphthyridin-2-yl)phenyl]carbazole
CID 126503544
5-[3-[6-pyridin-2-yl-4-[10-(4-pyrido[4,3-b]indol-5-ylphenyl)anthracen-9-yl]-2-pyridinyl]phenyl]pyrido[4,3-b]indole
CID 89119653
5-[6-(11H-benzo[a]carbazol-5-yl)naphthalen-2-yl]-11-phenylbenzo[a]carbazole;5-(11H-benzo[a]carbazol-5-yl)-11-(4-phenylphenyl)benzo[a]carbazole;5-[4-(11H-benzo[a]carbazol-5-yl)phenyl]-11-pyridin-3-ylbenzo[a]carbazole
CID 160956211
17-phenyl-8-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 122524604
8-carbazol-9-yl-5-naphthalen-2-yl-N,N-diphenyl-10-(4-pyridin-3-ylphenyl)indolo[3,2-b]indol-3-amine;8-carbazol-9-yl-N,N,5-triphenyl-10-(4-pyridin-2-ylphenyl)indolo[3,2-b]indol-3-amine;3-N,3-N-dinaphthalen-2-yl-8-N,8-N,5,10-tetraphenylindolo[3,2-b]indole-3,8-diamine
CID 159158258

Frequently Asked Questions

What is the IUPAC name of 8-(7-phenylpyren-2-yl)-17-(6-pyridin-2-ylnaphthalen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The IUPAC name of 8-(7-phenylpyren-2-yl)-17-(6-pyridin-2-ylnaphthalen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene (CID 122524605) is 8-(7-phenylpyren-2-yl)-17-(6-pyridin-2-ylnaphthalen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene.
What is the SMILES notation for 8-(7-phenylpyren-2-yl)-17-(6-pyridin-2-ylnaphthalen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The canonical SMILES for 8-(7-phenylpyren-2-yl)-17-(6-pyridin-2-ylnaphthalen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is c1ccc(-c2cc3ccc4cc(-c5cc6c7cnccc7n(-c7ccc8cc(-c9ccccn9)ccc8c7)c6c6ccccc56)cc5ccc(c2)c3c45)cc1.
What is the InChIKey of 8-(7-phenylpyren-2-yl)-17-(6-pyridin-2-ylnaphthalen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
The InChIKey is SZPOQROTWHSJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3/c1-2-8-32(9-3-1)40-25-36-15-17-38-27-41(28-39-18-16-37(26-40)50(36)51(38)39)45-30-46-47-31-53-23-21-49(47)55(52(46)44-11-5-4-10-43(44)45)42-20-19-33-24-35(14-13-34(33)29-42)48-12-6-7-22-54-48/h1-31H.
What are the key properties of 8-(7-phenylpyren-2-yl)-17-(6-pyridin-2-ylnaphthalen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene?
8-(7-phenylpyren-2-yl)-17-(6-pyridin-2-ylnaphthalen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene has a molecular weight of 697.84 g/mol, XLogP of 13.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-phenylpyren-2-yl)-17-(6-pyridin-2-ylnaphthalen-2-yl)-13,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene is sourced from PubChem (CID 122524605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).