14,29,33-triphenyl-13,15,29,41-tetrazanonacyclo[25.10.1.12,6.17,11.112,16.117,21.122,26.028,36.030,35]tritetraconta-1(38),2,4,6(43),7(42),8,10,12(41),13,15,17,19,21(40),22(39),23,25,27,30(35),31,33,36-henicosaene

C57H36N4 — CID 167023762

IUPAC14,29,33-triphenyl-13,15,29,41-tetrazanonacyclo[25.10.1.12,6.17,11.112,16.117,21.122,26.028,36.030,35]tritetraconta-1(38),2,4,6(43),7(42),8,10,12(41),13,15,17,19,21(40),22(39),23,25,27,30(35),31,33,36-henicosaene
SMILESc1ccc(-c2ccc3c(c2)c2cc4cc(c5cccc(c5)c5cccc(c5)c5nc(-c6ccccc6)nc(n5)c5cccc(c5)c5cccc4c5)c2n3-c2ccccc2)cc1
InChIInChI=1S/C57H36N4/c1-4-14-37(15-5-1)44-28-29-53-51(34-44)52-36-48-35-50(54(52)61(53)49-26-8-3-9-27-49)45-23-11-19-40(31-45)42-21-13-25-47(33-42)57-59-55(38-16-6-2-7-17-38)58-56(60-57)46-24-12-20-41(32-46)39-18-10-22-43(48)30-39/h1-36H
InChIKeyCGOFIQQXEALAIL-UHFFFAOYSA-N
MW776.94 g/mol
LogP14.91
Rot. Bonds3

About 14,29,33-triphenyl-13,15,29,41-tetrazanonacyclo[25.10.1.12,6.17,11.112,16.117,21.122,26.028,36.030,35]tritetraconta-1(38),2,4,6(43),7(42),8,10,12(41),13,15,17,19,21(40),22(39),23,25,27,30(35),31,33,36-henicosaene

14,29,33-triphenyl-13,15,29,41-tetrazanonacyclo[25.10.1.12,6.17,11.112,16.117,21.122,26.028,36.030,35]tritetraconta-1(38),2,4,6(43),7(42),8,10,12(41),13,15,17,19,21(40),22(39),23,25,27,30(35),31,33,36-henicosaene (PubChem CID 167023762) has the molecular formula C57H36N4 and a molecular weight of 776.94 g/mol. Its IUPAC name is 14,29,33-triphenyl-13,15,29,41-tetrazanonacyclo[25.10.1.12,6.17,11.112,16.117,21.122,26.028,36.030,35]tritetraconta-1(38),2,4,6(43),7(42),8,10,12(41),13,15,17,19,21(40),22(39),23,25,27,30(35),31,33,36-henicosaene.

Molecular Properties

Compound Name14,29,33-triphenyl-13,15,29,41-tetrazanonacyclo[25.10.1.12,6.17,11.112,16.117,21.122,26.028,36.030,35]tritetraconta-1(38),2,4,6(43),7(42),8,10,12(41),13,15,17,19,21(40),22(39),23,25,27,30(35),31,33,36-henicosaene
PubChem CID167023762
Molecular FormulaC57H36N4
Molecular Weight776.94 g/mol
Exact Mass776.29
IUPAC Name14,29,33-triphenyl-13,15,29,41-tetrazanonacyclo[25.10.1.12,6.17,11.112,16.117,21.122,26.028,36.030,35]tritetraconta-1(38),2,4,6(43),7(42),8,10,12(41),13,15,17,19,21(40),22(39),23,25,27,30(35),31,33,36-henicosaene
SMILESc1ccc(-c2ccc3c(c2)c2cc4cc(c5cccc(c5)c5cccc(c5)c5nc(-c6ccccc6)nc(n5)c5cccc(c5)c5cccc4c5)c2n3-c2ccccc2)cc1
InChIInChI=1S/C57H36N4/c1-4-14-37(15-5-1)44-28-29-53-51(34-44)52-36-48-35-50(54(52)61(53)49-26-8-3-9-27-49)45-23-11-19-40(31-45)42-21-13-25-47(33-42)57-59-55(38-16-6-2-7-17-38)58-56(60-57)46-24-12-20-41(32-46)39-18-10-22-43(48)30-39/h1-36H
InChIKeyCGOFIQQXEALAIL-UHFFFAOYSA-N
XLogP14.91
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.94
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 14,29,33-triphenyl-13,15,29,41-tetrazanonacyclo[25.10.1.12,6.17,11.112,16.117,21.122,26.028,36.030,35]tritetraconta-1(38),2,4,6(43),7(42),8,10,12(41),13,15,17,19,21(40),22(39),23,25,27,30(35),31,33,36-henicosaene with MolForge

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Related Compounds

14,29-diphenyl-33-(2-phenylcarbazol-9-yl)-13,15,29,39-tetrazanonacyclo[25.10.1.112,16.02,11.04,9.017,26.019,24.028,36.030,35]nonatriaconta-1(38),2,4,6,8,10,12(39),13,15,17,19,21,23,25,27,30(35),31,33,36-nonadecaene
CID 167023760
3,8,11-triphenyl-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164799955
3,6-diphenyl-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153302022
3-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-6-phenylcarbazol-3-yl]-6,9-diphenylcarbazole
CID 88866650
10,21-diphenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22,24,26,28-pentadecaene
CID 167023752
5-[4-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenylbenzo[b]carbazole
CID 167032394
25-carbazol-9-yl-10,21-diphenyl-9,11,21,31-tetrazaheptacyclo[17.10.1.18,12.02,7.013,18.020,28.022,27]hentriaconta-1(30),2,4,6,8(31),9,11,13,15,17,19,22(27),23,25,28-pentadecaene
CID 167023813
5-[4-[4-(9-phenylcarbazol-1-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621588
3-[3-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 139342070
3,6-bis(3,6-diphenylcarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 90308422
12-[4-[4-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(9-phenylcarbazol-3-yl)benzo[b]carbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-14-(9-phenylcarbazol-3-yl)-6-[4-[4-phenyl-6-[4-[10-(9-phenylcarbazol-3-yl)-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-12-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),4,6,9,13,15,17,19-decaene
CID 134556138
3-[9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511500

Frequently Asked Questions

What is the IUPAC name of 14,29,33-triphenyl-13,15,29,41-tetrazanonacyclo[25.10.1.12,6.17,11.112,16.117,21.122,26.028,36.030,35]tritetraconta-1(38),2,4,6(43),7(42),8,10,12(41),13,15,17,19,21(40),22(39),23,25,27,30(35),31,33,36-henicosaene?
The IUPAC name of 14,29,33-triphenyl-13,15,29,41-tetrazanonacyclo[25.10.1.12,6.17,11.112,16.117,21.122,26.028,36.030,35]tritetraconta-1(38),2,4,6(43),7(42),8,10,12(41),13,15,17,19,21(40),22(39),23,25,27,30(35),31,33,36-henicosaene (CID 167023762) is 14,29,33-triphenyl-13,15,29,41-tetrazanonacyclo[25.10.1.12,6.17,11.112,16.117,21.122,26.028,36.030,35]tritetraconta-1(38),2,4,6(43),7(42),8,10,12(41),13,15,17,19,21(40),22(39),23,25,27,30(35),31,33,36-henicosaene.
What is the SMILES notation for 14,29,33-triphenyl-13,15,29,41-tetrazanonacyclo[25.10.1.12,6.17,11.112,16.117,21.122,26.028,36.030,35]tritetraconta-1(38),2,4,6(43),7(42),8,10,12(41),13,15,17,19,21(40),22(39),23,25,27,30(35),31,33,36-henicosaene?
The canonical SMILES for 14,29,33-triphenyl-13,15,29,41-tetrazanonacyclo[25.10.1.12,6.17,11.112,16.117,21.122,26.028,36.030,35]tritetraconta-1(38),2,4,6(43),7(42),8,10,12(41),13,15,17,19,21(40),22(39),23,25,27,30(35),31,33,36-henicosaene is c1ccc(-c2ccc3c(c2)c2cc4cc(c5cccc(c5)c5cccc(c5)c5nc(-c6ccccc6)nc(n5)c5cccc(c5)c5cccc4c5)c2n3-c2ccccc2)cc1.
What is the InChIKey of 14,29,33-triphenyl-13,15,29,41-tetrazanonacyclo[25.10.1.12,6.17,11.112,16.117,21.122,26.028,36.030,35]tritetraconta-1(38),2,4,6(43),7(42),8,10,12(41),13,15,17,19,21(40),22(39),23,25,27,30(35),31,33,36-henicosaene?
The InChIKey is CGOFIQQXEALAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4/c1-4-14-37(15-5-1)44-28-29-53-51(34-44)52-36-48-35-50(54(52)61(53)49-26-8-3-9-27-49)45-23-11-19-40(31-45)42-21-13-25-47(33-42)57-59-55(38-16-6-2-7-17-38)58-56(60-57)46-24-12-20-41(32-46)39-18-10-22-43(48)30-39/h1-36H.
What are the key properties of 14,29,33-triphenyl-13,15,29,41-tetrazanonacyclo[25.10.1.12,6.17,11.112,16.117,21.122,26.028,36.030,35]tritetraconta-1(38),2,4,6(43),7(42),8,10,12(41),13,15,17,19,21(40),22(39),23,25,27,30(35),31,33,36-henicosaene?
14,29,33-triphenyl-13,15,29,41-tetrazanonacyclo[25.10.1.12,6.17,11.112,16.117,21.122,26.028,36.030,35]tritetraconta-1(38),2,4,6(43),7(42),8,10,12(41),13,15,17,19,21(40),22(39),23,25,27,30(35),31,33,36-henicosaene has a molecular weight of 776.94 g/mol, XLogP of 14.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14,29,33-triphenyl-13,15,29,41-tetrazanonacyclo[25.10.1.12,6.17,11.112,16.117,21.122,26.028,36.030,35]tritetraconta-1(38),2,4,6(43),7(42),8,10,12(41),13,15,17,19,21(40),22(39),23,25,27,30(35),31,33,36-henicosaene is sourced from PubChem (CID 167023762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).