5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene

C57H34N6 — CID 148586047

IUPAC5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccccc5c5cc(-c6nc(-n7c8ccccc8c8ccccc87)nc(-n7c8ccccc8c8ccccc87)n6)ccc5c4cc32)cc1
InChIInChI=1S/C57H34N6/c1-2-16-36(17-3-1)61-49-25-11-10-24-44(49)48-33-46-38-19-5-4-18-37(38)45-32-35(30-31-39(45)47(46)34-54(48)61)55-58-56(62-50-26-12-6-20-40(50)41-21-7-13-27-51(41)62)60-57(59-55)63-52-28-14-8-22-42(52)43-23-9-15-29-53(43)63/h1-34H
InChIKeyMZSGJBORUQMLDC-UHFFFAOYSA-N
MW802.94 g/mol
LogP14.29
Rot. Bonds4

About 5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene

5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene (PubChem CID 148586047) has the molecular formula C57H34N6 and a molecular weight of 802.94 g/mol. Its IUPAC name is 5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene.

Molecular Properties

Compound Name5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
PubChem CID148586047
Molecular FormulaC57H34N6
Molecular Weight802.94 g/mol
Exact Mass802.28
IUPAC Name5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene
SMILESc1ccc(-n2c3ccccc3c3cc4c5ccccc5c5cc(-c6nc(-n7c8ccccc8c8ccccc87)nc(-n7c8ccccc8c8ccccc87)n6)ccc5c4cc32)cc1
InChIInChI=1S/C57H34N6/c1-2-16-36(17-3-1)61-49-25-11-10-24-44(49)48-33-46-38-19-5-4-18-37(38)45-32-35(30-31-39(45)47(46)34-54(48)61)55-58-56(62-50-26-12-6-20-40(50)41-21-7-13-27-51(41)62)60-57(59-55)63-52-28-14-8-22-42(52)43-23-9-15-29-53(43)63/h1-34H
InChIKeyMZSGJBORUQMLDC-UHFFFAOYSA-N
XLogP14.29
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.94
LogP ≤ 514.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene with MolForge

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Related Compounds

10-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 147263328
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole
CID 170542486
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-23-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 121324847
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 169014141
3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-1,3,5-triazin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 134236514
3-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 146573165
23-phenyl-10-(4-phenylphenyl)-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8(13),9,11,15,17,19,21,24-dodecaene
CID 89417795
5,11-diphenyl-2-triphenylen-2-ylindolo[3,2-b]carbazole
CID 90441162
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-phenylindolo[2,3-b]carbazole;5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7-(4-phenylphenyl)indolo[2,3-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-[4-(4-phenylphenyl)phenyl]indolo[2,3-b]carbazole;7-(4-phenylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
CID 161291971
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
5-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 169014221

Frequently Asked Questions

What is the IUPAC name of 5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene?
The IUPAC name of 5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene (CID 148586047) is 5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene.
What is the SMILES notation for 5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene?
The canonical SMILES for 5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene is c1ccc(-n2c3ccccc3c3cc4c5ccccc5c5cc(-c6nc(-n7c8ccccc8c8ccccc87)nc(-n7c8ccccc8c8ccccc87)n6)ccc5c4cc32)cc1.
What is the InChIKey of 5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene?
The InChIKey is MZSGJBORUQMLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H34N6/c1-2-16-36(17-3-1)61-49-25-11-10-24-44(49)48-33-46-38-19-5-4-18-37(38)45-32-35(30-31-39(45)47(46)34-54(48)61)55-58-56(62-50-26-12-6-20-40(50)41-21-7-13-27-51(41)62)60-57(59-55)63-52-28-14-8-22-42(52)43-23-9-15-29-53(43)63/h1-34H.
What are the key properties of 5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene?
5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene has a molecular weight of 802.94 g/mol, XLogP of 14.29, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-23-phenyl-23-azahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaene is sourced from PubChem (CID 148586047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).