9-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-17-methyl-2,3,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene

C61H41N5 — CID 164805501

IUPAC9-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-17-methyl-2,3,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
SMILESCc1cccc2c3ncc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccccc6)nc5)cc(-c5ccccc5-c5ccc(-c6ccccc6)nc5)c4)cc3c3ccnn3c12
InChIInChI=1S/C61H41N5/c1-40-15-14-26-55-60-56(59-31-32-65-66(59)61(40)55)36-48(39-64-60)54-25-13-12-24-53(54)47-34-45(51-22-10-8-20-49(51)43-27-29-57(62-37-43)41-16-4-2-5-17-41)33-46(35-47)52-23-11-9-21-50(52)44-28-30-58(63-38-44)42-18-6-3-7-19-42/h2-39H,1H3
InChIKeyZJTJTVPNKQTLNH-UHFFFAOYSA-N
MW844.03 g/mol
LogP15.47
Rot. Bonds8

About 9-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-17-methyl-2,3,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene

9-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-17-methyl-2,3,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene (PubChem CID 164805501) has the molecular formula C61H41N5 and a molecular weight of 844.03 g/mol. Its IUPAC name is 9-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-17-methyl-2,3,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene.

Molecular Properties

Compound Name9-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-17-methyl-2,3,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
PubChem CID164805501
Molecular FormulaC61H41N5
Molecular Weight844.03 g/mol
Exact Mass843.34
IUPAC Name9-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-17-methyl-2,3,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene
SMILESCc1cccc2c3ncc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccccc6)nc5)cc(-c5ccccc5-c5ccc(-c6ccccc6)nc5)c4)cc3c3ccnn3c12
InChIInChI=1S/C61H41N5/c1-40-15-14-26-55-60-56(59-31-32-65-66(59)61(40)55)36-48(39-64-60)54-25-13-12-24-53(54)47-34-45(51-22-10-8-20-49(51)43-27-29-57(62-37-43)41-16-4-2-5-17-41)33-46(35-47)52-23-11-9-21-50(52)44-28-30-58(63-38-44)42-18-6-3-7-19-42/h2-39H,1H3
InChIKeyZJTJTVPNKQTLNH-UHFFFAOYSA-N
XLogP15.47
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.03
LogP ≤ 515.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-17-methyl-2,3,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene with MolForge

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Related Compounds

2-phenyl-5-[2-[3-[2-[6-(3-phenylphenyl)-3-pyridinyl]phenyl]-5-[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191385
CID 164805281
CID 164805281
5-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-2-(6-methyl-3-pyridinyl)pyridine
CID 122487681
2,5-bis[4-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]pyrazine
CID 134313368
2-phenyl-5-[2-[3-[2-(6-phenyl-3-pyridinyl)phenyl]-5-[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]pyridine
CID 122487708
9-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2,3,14-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 164805503
5-[2-[3,5-bis[2-[4-(1-methylimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]-2-(3-triphenylen-2-ylphenyl)pyridine
CID 153458018
5-[2-[3,5-bis[2-[6-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-[3-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]pyridine
CID 153429712
5-[2-[3,5-bis[2-(4-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]-2-[3-(4-phenylphenyl)phenyl]pyridine
CID 153458177
5-[2-[3-[2-(3-methyl-2-phenylimidazol-4-yl)phenyl]-5-[2-[6-[3-(4-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-2-phenylpyridine
CID 153458691
1-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]ethanone
CID 126639001
2,4,6-tris[2-(6-phenyl-3-pyridinyl)phenyl]pyridine
CID 134191347

Frequently Asked Questions

What is the IUPAC name of 9-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-17-methyl-2,3,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene?
The IUPAC name of 9-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-17-methyl-2,3,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene (CID 164805501) is 9-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-17-methyl-2,3,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene.
What is the SMILES notation for 9-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-17-methyl-2,3,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene?
The canonical SMILES for 9-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-17-methyl-2,3,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene is Cc1cccc2c3ncc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6ccccc6)nc5)cc(-c5ccccc5-c5ccc(-c6ccccc6)nc5)c4)cc3c3ccnn3c12.
What is the InChIKey of 9-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-17-methyl-2,3,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene?
The InChIKey is ZJTJTVPNKQTLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N5/c1-40-15-14-26-55-60-56(59-31-32-65-66(59)61(40)55)36-48(39-64-60)54-25-13-12-24-53(54)47-34-45(51-22-10-8-20-49(51)43-27-29-57(62-37-43)41-16-4-2-5-17-41)33-46(35-47)52-23-11-9-21-50(52)44-28-30-58(63-38-44)42-18-6-3-7-19-42/h2-39H,1H3.
What are the key properties of 9-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-17-methyl-2,3,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene?
9-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-17-methyl-2,3,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene has a molecular weight of 844.03 g/mol, XLogP of 15.47, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-[3,5-bis[2-(6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]-17-methyl-2,3,11-triazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,7(12),8,10,13,15-octaene is sourced from PubChem (CID 164805501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).