14-phenyl-9-(1,3,5-triazin-2-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

C31H19N5 — CID 122465071

IUPAC14-phenyl-9-(1,3,5-triazin-2-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
SMILESc1ccc(-n2c3ccc4c(c5ccccc5n4-c4ncncn4)c3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C31H19N5/c1-2-9-21(10-3-1)35-26-16-17-27-28(29(26)24-15-14-20-8-4-5-11-22(20)30(24)35)23-12-6-7-13-25(23)36(27)31-33-18-32-19-34-31/h1-19H
InChIKeyHQKYNDGMNBBVGY-UHFFFAOYSA-N
MW461.53 g/mol
LogP7.22
Rot. Bonds2

About 14-phenyl-9-(1,3,5-triazin-2-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene

14-phenyl-9-(1,3,5-triazin-2-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene (PubChem CID 122465071) has the molecular formula C31H19N5 and a molecular weight of 461.53 g/mol. Its IUPAC name is 14-phenyl-9-(1,3,5-triazin-2-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene.

Molecular Properties

Compound Name14-phenyl-9-(1,3,5-triazin-2-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
PubChem CID122465071
Molecular FormulaC31H19N5
Molecular Weight461.53 g/mol
Exact Mass461.16
IUPAC Name14-phenyl-9-(1,3,5-triazin-2-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
SMILESc1ccc(-n2c3ccc4c(c5ccccc5n4-c4ncncn4)c3c3ccc4ccccc4c32)cc1
InChIInChI=1S/C31H19N5/c1-2-9-21(10-3-1)35-26-16-17-27-28(29(26)24-15-14-20-8-4-5-11-22(20)30(24)35)23-12-6-7-13-25(23)36(27)31-33-18-32-19-34-31/h1-19H
InChIKeyHQKYNDGMNBBVGY-UHFFFAOYSA-N
XLogP7.22
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.53
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-phenyl-9-(1,3,5-triazin-2-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene with MolForge

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Related Compounds

9-phenyl-14-(4-phenylphenyl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 174363945
9-phenyl-18-(1,3,5-triazin-2-yl)-9,18-diazahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 122465059
14-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 135165871
10,18,27-triphenyl-10,18,27-triazaoctacyclo[15.14.0.02,14.03,11.04,9.019,31.020,28.021,26]hentriaconta-1(17),2(14),3(11),4,6,8,12,15,19(31),20(28),21,23,25,29-tetradecaene
CID 146610783
9-phenyl-14-pyrimidin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038360
9-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)-12-phenyl-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 71109053
14-phenyl-3-(4-phenylphenyl)-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 154589079
11-(9-naphthalen-1-ylcarbazol-4-yl)-5-phenylindolo[3,2-b]carbazole;11-(9-naphthalen-2-ylcarbazol-4-yl)-5-phenylindolo[3,2-b]carbazole;5-(9-naphthalen-1-ylcarbazol-4-yl)-11-pyrimidin-2-ylindolo[3,2-b]carbazole;5-(9-phenylcarbazol-4-yl)-11-(1,3,5-triazin-2-yl)indolo[3,2-b]carbazole;5-phenyl-11-(9-phenylcarbazol-1-yl)indolo[3,2-b]carbazole;5-phenyl-11-(9-phenylcarbazol-3-yl)indolo[3,2-b]carbazole;5-phenyl-11-(9-phenylcarbazol-4-yl)indolo[3,2-b]carbazole
CID 157380165
14-(4-phenylphenyl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 135165955
14-(3,5-diphenylphenyl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 135165926
12-[4-(11-phenylbenzo[a]carbazol-8-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 131999005
9,15-diphenyl-9,15-diazahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 122464932

Frequently Asked Questions

What is the IUPAC name of 14-phenyl-9-(1,3,5-triazin-2-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?
The IUPAC name of 14-phenyl-9-(1,3,5-triazin-2-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene (CID 122465071) is 14-phenyl-9-(1,3,5-triazin-2-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene.
What is the SMILES notation for 14-phenyl-9-(1,3,5-triazin-2-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?
The canonical SMILES for 14-phenyl-9-(1,3,5-triazin-2-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene is c1ccc(-n2c3ccc4c(c5ccccc5n4-c4ncncn4)c3c3ccc4ccccc4c32)cc1.
What is the InChIKey of 14-phenyl-9-(1,3,5-triazin-2-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?
The InChIKey is HQKYNDGMNBBVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N5/c1-2-9-21(10-3-1)35-26-16-17-27-28(29(26)24-15-14-20-8-4-5-11-22(20)30(24)35)23-12-6-7-13-25(23)36(27)31-33-18-32-19-34-31/h1-19H.
What are the key properties of 14-phenyl-9-(1,3,5-triazin-2-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene?
14-phenyl-9-(1,3,5-triazin-2-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene has a molecular weight of 461.53 g/mol, XLogP of 7.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-phenyl-9-(1,3,5-triazin-2-yl)-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene is sourced from PubChem (CID 122465071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).