16-(2,4-diphenylquinazolin-6-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene

C56H34N8 — CID 135212465

IUPAC16-(2,4-diphenylquinazolin-6-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3c3nc5c6ccccc6n(-c6ccc7nc(-c8ccccc8)nc(-c8ccccc8)c7c6)c5n43)n2)cc1
InChIInChI=1S/C56H34N8/c1-5-17-35(18-6-1)49-45-34-40(30-31-46(45)57-51(58-49)36-19-7-2-8-20-36)63-47-28-16-15-27-43(47)50-56(63)64-48-32-29-39(33-44(48)41-25-13-14-26-42(41)55(64)59-50)54-61-52(37-21-9-3-10-22-37)60-53(62-54)38-23-11-4-12-24-38/h1-34H
InChIKeySTKOKSQJUUSBPT-UHFFFAOYSA-N
MW818.94 g/mol
LogP13.20
Rot. Bonds6

About 16-(2,4-diphenylquinazolin-6-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene

16-(2,4-diphenylquinazolin-6-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene (PubChem CID 135212465) has the molecular formula C56H34N8 and a molecular weight of 818.94 g/mol. Its IUPAC name is 16-(2,4-diphenylquinazolin-6-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene.

Molecular Properties

Compound Name16-(2,4-diphenylquinazolin-6-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene
PubChem CID135212465
Molecular FormulaC56H34N8
Molecular Weight818.94 g/mol
Exact Mass818.29
IUPAC Name16-(2,4-diphenylquinazolin-6-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3c3nc5c6ccccc6n(-c6ccc7nc(-c8ccccc8)nc(-c8ccccc8)c7c6)c5n43)n2)cc1
InChIInChI=1S/C56H34N8/c1-5-17-35(18-6-1)49-45-34-40(30-31-46(45)57-51(58-49)36-19-7-2-8-20-36)63-47-28-16-15-27-43(47)50-56(63)64-48-32-29-39(33-44(48)41-25-13-14-26-42(41)55(64)59-50)54-61-52(37-21-9-3-10-22-37)60-53(62-54)38-23-11-4-12-24-38/h1-34H
InChIKeySTKOKSQJUUSBPT-UHFFFAOYSA-N
XLogP13.20
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.94
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 16-(2,4-diphenylquinazolin-6-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene with MolForge

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Related Compounds

24-(2,4-diphenylquinazolin-6-yl)-2,9,24-triazahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),3,5,7,9,11,13,15,18,20,22-undecaene
CID 142565516
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 126630556
3-carbazol-9-yl-9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 146572883
3-carbazol-9-yl-9-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 153459439
3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 118067271
10,17,19-triphenyl-14,16,18,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 167102507
9-[3-[2,6-bis[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[2,4-bis[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole
CID 160941783
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,3-diphenylimidazo[1,2-f]phenanthridine
CID 58038117
10-(3,6-diphenylcarbazol-9-yl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58038256
2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145158976
3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3,6-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 162055470

Frequently Asked Questions

What is the IUPAC name of 16-(2,4-diphenylquinazolin-6-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene?
The IUPAC name of 16-(2,4-diphenylquinazolin-6-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene (CID 135212465) is 16-(2,4-diphenylquinazolin-6-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene.
What is the SMILES notation for 16-(2,4-diphenylquinazolin-6-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene?
The canonical SMILES for 16-(2,4-diphenylquinazolin-6-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3c3nc5c6ccccc6n(-c6ccc7nc(-c8ccccc8)nc(-c8ccccc8)c7c6)c5n43)n2)cc1.
What is the InChIKey of 16-(2,4-diphenylquinazolin-6-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene?
The InChIKey is STKOKSQJUUSBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N8/c1-5-17-35(18-6-1)49-45-34-40(30-31-46(45)57-51(58-49)36-19-7-2-8-20-36)63-47-28-16-15-27-43(47)50-56(63)64-48-32-29-39(33-44(48)41-25-13-14-26-42(41)55(64)59-50)54-61-52(37-21-9-3-10-22-37)60-53(62-54)38-23-11-4-12-24-38/h1-34H.
What are the key properties of 16-(2,4-diphenylquinazolin-6-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene?
16-(2,4-diphenylquinazolin-6-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene has a molecular weight of 818.94 g/mol, XLogP of 13.20, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(2,4-diphenylquinazolin-6-yl)-10-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8(13),9,11,15(23),17,19,21-undecaene is sourced from PubChem (CID 135212465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).