9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-triphenylen-2-yl-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene

C61H36N4 — CID 171043940

IUPAC9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-triphenylen-2-yl-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5ccc6c7cccc8c7c7c(cccc7n8-c7ccc8c9ccccc9c9ccccc9c8c7)c6c5c4)n3)cc2)cc1
InChIInChI=1S/C61H36N4/c1-3-13-37(14-4-1)38-25-28-41(29-26-38)60-62-59(40-15-5-2-6-16-40)63-61(64-60)42-30-27-39-31-33-50-49-21-11-23-54-57(49)58-51(56(50)52(39)35-42)22-12-24-55(58)65(54)43-32-34-48-46-19-8-7-17-44(46)45-18-9-10-20-47(45)53(48)36-43/h1-36H
InChIKeyAQEVQYRTACPFQI-UHFFFAOYSA-N
MW824.99 g/mol
LogP15.99
Rot. Bonds5

About 9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-triphenylen-2-yl-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene

9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-triphenylen-2-yl-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene (PubChem CID 171043940) has the molecular formula C61H36N4 and a molecular weight of 824.99 g/mol. Its IUPAC name is 9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-triphenylen-2-yl-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene.

Molecular Properties

Compound Name9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-triphenylen-2-yl-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene
PubChem CID171043940
Molecular FormulaC61H36N4
Molecular Weight824.99 g/mol
Exact Mass824.29
IUPAC Name9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-triphenylen-2-yl-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5ccc6c7cccc8c7c7c(cccc7n8-c7ccc8c9ccccc9c9ccccc9c8c7)c6c5c4)n3)cc2)cc1
InChIInChI=1S/C61H36N4/c1-3-13-37(14-4-1)38-25-28-41(29-26-38)60-62-59(40-15-5-2-6-16-40)63-61(64-60)42-30-27-39-31-33-50-49-21-11-23-54-57(49)58-51(56(50)52(39)35-42)22-12-24-55(58)65(54)43-32-34-48-46-19-8-7-17-44(46)45-18-9-10-20-47(45)53(48)36-43/h1-36H
InChIKeyAQEVQYRTACPFQI-UHFFFAOYSA-N
XLogP15.99
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.99
LogP ≤ 515.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-triphenylen-2-yl-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene with MolForge

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Related Compounds

23-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene
CID 171043992
19-[8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene
CID 176917228
9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]triphenylen-2-yl]-3-phenylcarbazole
CID 148701272
19-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-19-azapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaene
CID 176917131
9-[4-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 174244011
3-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 158366423
25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 163606277
13-dibenzothiophen-2-yl-26-(4,6-diphenyl-1,3,5-triazin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24(29),25,27-tetradecaene
CID 146787513
25-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaene
CID 163519018
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[3-(4-phenylphenyl)phenyl]-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 122598828
3,9-diphenyl-6-[6-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 158716979
12-[3-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-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 118449206

Frequently Asked Questions

What is the IUPAC name of 9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-triphenylen-2-yl-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene?
The IUPAC name of 9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-triphenylen-2-yl-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene (CID 171043940) is 9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-triphenylen-2-yl-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene.
What is the SMILES notation for 9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-triphenylen-2-yl-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene?
The canonical SMILES for 9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-triphenylen-2-yl-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5ccc6c7cccc8c7c7c(cccc7n8-c7ccc8c9ccccc9c9ccccc9c8c7)c6c5c4)n3)cc2)cc1.
What is the InChIKey of 9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-triphenylen-2-yl-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene?
The InChIKey is AQEVQYRTACPFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H36N4/c1-3-13-37(14-4-1)38-25-28-41(29-26-38)60-62-59(40-15-5-2-6-16-40)63-61(64-60)42-30-27-39-31-33-50-49-21-11-23-54-57(49)58-51(56(50)52(39)35-42)22-12-24-55(58)65(54)43-32-34-48-46-19-8-7-17-44(46)45-18-9-10-20-47(45)53(48)36-43/h1-36H.
What are the key properties of 9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-triphenylen-2-yl-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene?
9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-triphenylen-2-yl-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene has a molecular weight of 824.99 g/mol, XLogP of 15.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-23-triphenylen-2-yl-23-azahexacyclo[18.2.1.05,22.06,15.07,12.016,21]tricosa-1,3,5,7(12),8,10,13,15,17,19,21-undecaene is sourced from PubChem (CID 171043940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).