5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9,15-diphenyl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,14(18),16,19-nonaene

C57H36N6 — CID 90223081

IUPAC5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9,15-diphenyl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,14(18),16,19-nonaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7ccc8ccn(-c9ccccc9)c8c7ccc5n6-c5ccccc5)ccc43)n2)cc1
InChIInChI=1S/C57H36N6/c1-5-15-38(16-6-1)55-58-56(39-17-7-2-8-18-39)60-57(59-55)63-49-24-14-13-23-44(49)47-35-40(26-30-50(47)63)41-27-31-51-48(36-41)53-45-28-25-37-33-34-61(42-19-9-3-10-20-42)54(37)46(45)29-32-52(53)62(51)43-21-11-4-12-22-43/h1-36H
InChIKeyLRLHRPPRUYGPDA-UHFFFAOYSA-N
MW804.96 g/mol
LogP14.16
Rot. Bonds6

About 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9,15-diphenyl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,14(18),16,19-nonaene

5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9,15-diphenyl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,14(18),16,19-nonaene (PubChem CID 90223081) has the molecular formula C57H36N6 and a molecular weight of 804.96 g/mol. Its IUPAC name is 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9,15-diphenyl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,14(18),16,19-nonaene.

Molecular Properties

Compound Name5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9,15-diphenyl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,14(18),16,19-nonaene
PubChem CID90223081
Molecular FormulaC57H36N6
Molecular Weight804.96 g/mol
Exact Mass804.30
IUPAC Name5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9,15-diphenyl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,14(18),16,19-nonaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7ccc8ccn(-c9ccccc9)c8c7ccc5n6-c5ccccc5)ccc43)n2)cc1
InChIInChI=1S/C57H36N6/c1-5-15-38(16-6-1)55-58-56(39-17-7-2-8-18-39)60-57(59-55)63-49-24-14-13-23-44(49)47-35-40(26-30-50(47)63)41-27-31-51-48(36-41)53-45-28-25-37-33-34-61(42-19-9-3-10-20-42)54(37)46(45)29-32-52(53)62(51)43-21-11-4-12-22-43/h1-36H
InChIKeyLRLHRPPRUYGPDA-UHFFFAOYSA-N
XLogP14.16
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.96
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9,15-diphenyl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,14(18),16,19-nonaene with MolForge

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Related Compounds

3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 160782385
15-phenyl-9-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
CID 144645343
12-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-18-phenyl-12,18-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,21]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17(21),19,22-undecaene
CID 90223661
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;5-phenyl-9-(4-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,5,9-triphenyl-12-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 165033294
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
9-phenyl-15-(9-phenylcarbazol-3-yl)-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3,5,7,11,14(18),16,19-nonaene
CID 90223722
10-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 58511518
14-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,9-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 155153308
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 170268481
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,7-diphenylpyrrolo[2,3-a]carbazole
CID 123652217
1-phenyl-10-[4-(4-phenylphenyl)-6-(1-phenylpyrrolo[2,3-a]carbazol-10-yl)-1,3,5-triazin-2-yl]pyrrolo[2,3-a]carbazole
CID 90091343

Frequently Asked Questions

What is the IUPAC name of 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9,15-diphenyl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,14(18),16,19-nonaene?
The IUPAC name of 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9,15-diphenyl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,14(18),16,19-nonaene (CID 90223081) is 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9,15-diphenyl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,14(18),16,19-nonaene.
What is the SMILES notation for 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9,15-diphenyl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,14(18),16,19-nonaene?
The canonical SMILES for 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9,15-diphenyl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,14(18),16,19-nonaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c7ccc8ccn(-c9ccccc9)c8c7ccc5n6-c5ccccc5)ccc43)n2)cc1.
What is the InChIKey of 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9,15-diphenyl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,14(18),16,19-nonaene?
The InChIKey is LRLHRPPRUYGPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N6/c1-5-15-38(16-6-1)55-58-56(39-17-7-2-8-18-39)60-57(59-55)63-49-24-14-13-23-44(49)47-35-40(26-30-50(47)63)41-27-31-51-48(36-41)53-45-28-25-37-33-34-61(42-19-9-3-10-20-42)54(37)46(45)29-32-52(53)62(51)43-21-11-4-12-22-43/h1-36H.
What are the key properties of 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9,15-diphenyl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,14(18),16,19-nonaene?
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9,15-diphenyl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,14(18),16,19-nonaene has a molecular weight of 804.96 g/mol, XLogP of 14.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9,15-diphenyl-9,15-diazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,14(18),16,19-nonaene is sourced from PubChem (CID 90223081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).