14-phenyl-3-[2-(5-phenyl-2-pyridinyl)-6-(4-pyridin-2-ylphenyl)-4-pyridinyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

C52H33N5 — CID 129123824

IUPAC14-phenyl-3-[2-(5-phenyl-2-pyridinyl)-6-(4-pyridin-2-ylphenyl)-4-pyridinyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
SMILESc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccc6c(-c7ccccc7)nc7ccccc7c6c54)cc(-c4ccc(-c5ccccn5)cc4)n3)nc2)cc1
InChIInChI=1S/C52H33N5/c1-3-13-34(14-4-1)38-26-29-46(54-33-38)48-32-39(31-47(55-48)36-24-22-35(23-25-36)44-19-11-12-30-53-44)57-49-21-10-8-17-40(49)41-27-28-43-50(52(41)57)42-18-7-9-20-45(42)56-51(43)37-15-5-2-6-16-37/h1-33H
InChIKeyMAEYRKBGMJOHIF-UHFFFAOYSA-N
MW727.87 g/mol
LogP13.01
Rot. Bonds6

About 14-phenyl-3-[2-(5-phenyl-2-pyridinyl)-6-(4-pyridin-2-ylphenyl)-4-pyridinyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene

14-phenyl-3-[2-(5-phenyl-2-pyridinyl)-6-(4-pyridin-2-ylphenyl)-4-pyridinyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (PubChem CID 129123824) has the molecular formula C52H33N5 and a molecular weight of 727.87 g/mol. Its IUPAC name is 14-phenyl-3-[2-(5-phenyl-2-pyridinyl)-6-(4-pyridin-2-ylphenyl)-4-pyridinyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.

Molecular Properties

Compound Name14-phenyl-3-[2-(5-phenyl-2-pyridinyl)-6-(4-pyridin-2-ylphenyl)-4-pyridinyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
PubChem CID129123824
Molecular FormulaC52H33N5
Molecular Weight727.87 g/mol
Exact Mass727.27
IUPAC Name14-phenyl-3-[2-(5-phenyl-2-pyridinyl)-6-(4-pyridin-2-ylphenyl)-4-pyridinyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
SMILESc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccc6c(-c7ccccc7)nc7ccccc7c6c54)cc(-c4ccc(-c5ccccn5)cc4)n3)nc2)cc1
InChIInChI=1S/C52H33N5/c1-3-13-34(14-4-1)38-26-29-46(54-33-38)48-32-39(31-47(55-48)36-24-22-35(23-25-36)44-19-11-12-30-53-44)57-49-21-10-8-17-40(49)41-27-28-43-50(52(41)57)42-18-7-9-20-45(42)56-51(43)37-15-5-2-6-16-37/h1-33H
InChIKeyMAEYRKBGMJOHIF-UHFFFAOYSA-N
XLogP13.01
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.87
LogP ≤ 513.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 14-phenyl-3-[2-(5-phenyl-2-pyridinyl)-6-(4-pyridin-2-ylphenyl)-4-pyridinyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene with MolForge

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Related Compounds

18-[4-(3,5-dipyridin-2-ylphenyl)phenyl]-3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16(21),17,19-decaene
CID 163803926
7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(4-phenylphenyl)indolo[2,3-c]quinoline
CID 152908306
3-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129124079
3-[3-[2,6-bis(4-pyridin-4-ylphenyl)-4-pyridinyl]phenyl]-14-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123689
7-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6-(4-naphthalen-1-ylphenyl)indolo[2,3-c]quinoline;7-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(4-phenylphenyl)indolo[2,3-c]quinoline;7-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-6-(4-phenylphenyl)indolo[2,3-c]quinoline
CID 158266041
22-[4-[5-(4-carbazol-9-ylphenyl)-2-pyridinyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121474842
10-(2,6-dipyridin-2-yl-4-pyridinyl)-2-phenyl-[1,3]thiazolo[5,4-a]carbazole
CID 149344361
14-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-3-phenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene
CID 129123341
9-phenyl-3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]carbazole
CID 164817113
3,14-diphenyl-6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 164724143
3-[4-[2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidin-4-yl]phenyl]-3-azahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene
CID 118361226
7-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,14-diphenyl-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 164723983

Frequently Asked Questions

What is the IUPAC name of 14-phenyl-3-[2-(5-phenyl-2-pyridinyl)-6-(4-pyridin-2-ylphenyl)-4-pyridinyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?
The IUPAC name of 14-phenyl-3-[2-(5-phenyl-2-pyridinyl)-6-(4-pyridin-2-ylphenyl)-4-pyridinyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene (CID 129123824) is 14-phenyl-3-[2-(5-phenyl-2-pyridinyl)-6-(4-pyridin-2-ylphenyl)-4-pyridinyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene.
What is the SMILES notation for 14-phenyl-3-[2-(5-phenyl-2-pyridinyl)-6-(4-pyridin-2-ylphenyl)-4-pyridinyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?
The canonical SMILES for 14-phenyl-3-[2-(5-phenyl-2-pyridinyl)-6-(4-pyridin-2-ylphenyl)-4-pyridinyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccc6c(-c7ccccc7)nc7ccccc7c6c54)cc(-c4ccc(-c5ccccn5)cc4)n3)nc2)cc1.
What is the InChIKey of 14-phenyl-3-[2-(5-phenyl-2-pyridinyl)-6-(4-pyridin-2-ylphenyl)-4-pyridinyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?
The InChIKey is MAEYRKBGMJOHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N5/c1-3-13-34(14-4-1)38-26-29-46(54-33-38)48-32-39(31-47(55-48)36-24-22-35(23-25-36)44-19-11-12-30-53-44)57-49-21-10-8-17-40(49)41-27-28-43-50(52(41)57)42-18-7-9-20-45(42)56-51(43)37-15-5-2-6-16-37/h1-33H.
What are the key properties of 14-phenyl-3-[2-(5-phenyl-2-pyridinyl)-6-(4-pyridin-2-ylphenyl)-4-pyridinyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene?
14-phenyl-3-[2-(5-phenyl-2-pyridinyl)-6-(4-pyridin-2-ylphenyl)-4-pyridinyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene has a molecular weight of 727.87 g/mol, XLogP of 13.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-phenyl-3-[2-(5-phenyl-2-pyridinyl)-6-(4-pyridin-2-ylphenyl)-4-pyridinyl]-3,15-diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4,6,8,11,14,16,18,20-decaene is sourced from PubChem (CID 129123824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).