15-[3-[3-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene

C56H35N5 — CID 139516496

IUPAC15-[3-[3-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc(-c5cccc(-c6nc7cccc8c7n6-c6ccccc6-c6ccccc6-8)c5)c4)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C56H35N5/c1-2-15-37(16-3-1)53-58-54(60-55(59-53)44-31-30-36-14-4-5-17-38(36)33-44)43-22-11-20-41(34-43)39-18-10-19-40(32-39)42-21-12-23-45(35-42)56-57-50-28-13-27-49-47-25-7-6-24-46(47)48-26-8-9-29-51(48)61(56)52(49)50/h1-35H
InChIKeyMKDOXOZMEJJVLW-UHFFFAOYSA-N
MW777.93 g/mol
LogP14.01
Rot. Bonds6

About 15-[3-[3-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene

15-[3-[3-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene (PubChem CID 139516496) has the molecular formula C56H35N5 and a molecular weight of 777.93 g/mol. Its IUPAC name is 15-[3-[3-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene.

Molecular Properties

Compound Name15-[3-[3-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
PubChem CID139516496
Molecular FormulaC56H35N5
Molecular Weight777.93 g/mol
Exact Mass777.29
IUPAC Name15-[3-[3-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc(-c5cccc(-c6nc7cccc8c7n6-c6ccccc6-c6ccccc6-8)c5)c4)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C56H35N5/c1-2-15-37(16-3-1)53-58-54(60-55(59-53)44-31-30-36-14-4-5-17-38(36)33-44)43-22-11-20-41(34-43)39-18-10-19-40(32-39)42-21-12-23-45(35-42)56-57-50-28-13-27-49-47-25-7-6-24-46(47)48-26-8-9-29-51(48)61(56)52(49)50/h1-35H
InChIKeyMKDOXOZMEJJVLW-UHFFFAOYSA-N
XLogP14.01
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.93
LogP ≤ 514.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 15-[3-[3-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene with MolForge

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Related Compounds

15-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;15-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;15-[3-[3-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene;15-[3-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 159631402
15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 139516524
15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 139516414
15-(3-triphenylen-2-ylphenyl)-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 139516422
15-[4-[3-[3-(6-phenyl-2-pyridinyl)phenyl]phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 139516452
19-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-10,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,18,20-triazahexacyclo[16.6.1.02,11.04,9.012,17.021,25]pentacosa-1(25),2,4,6,8,10,12,14,16,19,21,23-dodecaene;19-[3-[3-(3-fluoranthen-3-ylphenyl)phenyl]phenyl]-18,20-diazahexacyclo[16.6.1.02,11.03,8.012,17.021,25]pentacosa-1(25),2(11),3,5,7,9,12,14,16,19,21,23-dodecaene
CID 157404052
15-triphenylen-2-yl-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene
CID 139516424
2-[3-[6-(2-naphthalen-2-ylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 174244505
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 154626597
2,4-dinaphthalen-2-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 154589115
2-naphthalen-2-yl-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 163794965
2-naphthalen-2-yl-4-phenyl-6-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 122606651

Frequently Asked Questions

What is the IUPAC name of 15-[3-[3-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene?
The IUPAC name of 15-[3-[3-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene (CID 139516496) is 15-[3-[3-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene.
What is the SMILES notation for 15-[3-[3-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene?
The canonical SMILES for 15-[3-[3-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene is c1ccc(-c2nc(-c3cccc(-c4cccc(-c5cccc(-c6nc7cccc8c7n6-c6ccccc6-c6ccccc6-8)c5)c4)c3)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 15-[3-[3-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene?
The InChIKey is MKDOXOZMEJJVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N5/c1-2-15-37(16-3-1)53-58-54(60-55(59-53)44-31-30-36-14-4-5-17-38(36)33-44)43-22-11-20-41(34-43)39-18-10-19-40(32-39)42-21-12-23-45(35-42)56-57-50-28-13-27-49-47-25-7-6-24-46(47)48-26-8-9-29-51(48)61(56)52(49)50/h1-35H.
What are the key properties of 15-[3-[3-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene?
15-[3-[3-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene has a molecular weight of 777.93 g/mol, XLogP of 14.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[3-[3-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-14,16-diazapentacyclo[12.6.1.02,7.08,13.017,21]henicosa-1(21),2,4,6,8,10,12,15,17,19-decaene is sourced from PubChem (CID 139516496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).