11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methyl-17-(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene

C53H32F3N5O2 — CID 146947275

IUPAC11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methyl-17-(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
SMILESCc1ccc2c(c1)Oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc3c1N2c1ccc(C(F)(F)F)cc1O3
InChIInChI=1S/C53H32F3N5O2/c1-31-19-22-43-45(25-31)62-47-28-36(29-48-49(47)61(43)44-24-21-37(53(54,55)56)30-46(44)63-48)34-20-23-42-40(27-34)39-17-8-9-18-41(39)60(42)38-16-10-15-35(26-38)52-58-50(32-11-4-2-5-12-32)57-51(59-52)33-13-6-3-7-14-33/h2-30H,1H3
InChIKeyAIAOJNYGWVKJLN-UHFFFAOYSA-N
MW827.87 g/mol
LogP14.65
Rot. Bonds5

About 11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methyl-17-(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene

11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methyl-17-(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene (PubChem CID 146947275) has the molecular formula C53H32F3N5O2 and a molecular weight of 827.87 g/mol. Its IUPAC name is 11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methyl-17-(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene.

Molecular Properties

Compound Name11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methyl-17-(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
PubChem CID146947275
Molecular FormulaC53H32F3N5O2
Molecular Weight827.87 g/mol
Exact Mass827.25
IUPAC Name11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methyl-17-(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
SMILESCc1ccc2c(c1)Oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc3c1N2c1ccc(C(F)(F)F)cc1O3
InChIInChI=1S/C53H32F3N5O2/c1-31-19-22-43-45(25-31)62-47-28-36(29-48-49(47)61(43)44-24-21-37(53(54,55)56)30-46(44)63-48)34-20-23-42-40(27-34)39-17-8-9-18-41(39)60(42)38-16-10-15-35(26-38)52-58-50(32-11-4-2-5-12-32)57-51(59-52)33-13-6-3-7-14-33/h2-30H,1H3
InChIKeyAIAOJNYGWVKJLN-UHFFFAOYSA-N
XLogP14.65
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.87
LogP ≤ 514.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methyl-17-(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene with MolForge

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Related Compounds

9-[5-(4,6-Diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylxanthen-4-yl]carbazole
CID 135225902
12-[3-(4,6-Diphenyl-1,3,5-triazin-2-yl)-5-(trifluoromethyl)phenyl]-[1,4]benzodioxino[2,3-a]carbazole
CID 118441944
5,13-Difluoro-25-(4-phenylquinazolin-2-yl)-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3(8),4,6,10(15),11,13,17,19,21,23,26-dodecaene
CID 134560628
2,6-Bis[2,7-bis(trifluoromethyl)carbazol-9-yl]-3,5-bis(2-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile
CID 137368725
2,5-Bis(10-phenylphenoxazin-2-yl)-3,6-bis[3-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
CID 137368728
2-[3,6-Bis(trifluoromethyl)carbazol-9-yl]-3,5,6-tris(10-phenylphenoxazin-2-yl)pyridine-4-carbonitrile
CID 137369029
3,5-Bis(10-phenylphenoxazin-1-yl)-2,6-bis[2-(trifluoromethyl)carbazol-9-yl]pyridine-4-carbonitrile
CID 137369292
5,13-difluoro-25-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]quinazolin-2-yl]-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3(8),4,6,10(15),11,13,17,19,21,23,26-dodecaene
CID 142357474
11-[9-(4-Dibenzothiophen-4-ylquinazolin-2-yl)carbazol-3-yl]-5,17-difluoro-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-3-ol
CID 142461147
3-[(2E)-2-[(Z)-but-2-enylidene]-3-[(4,6-diphenyl-1,3,5-triazin-2-yl)methylidene]-1-benzofuran-5-yl]-9-[4-(trifluoromethyl)phenyl]carbazole
CID 144955821
11-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-bis(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 147159013
5-[9-(4-Dibenzothiophen-4-ylquinazolin-2-yl)carbazol-3-yl]-11,17-difluoro-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 148827136

Frequently Asked Questions

What is the IUPAC name of 11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methyl-17-(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
The IUPAC name of 11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methyl-17-(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene (CID 146947275) is 11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methyl-17-(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene.
What is the SMILES notation for 11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methyl-17-(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
The canonical SMILES for 11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methyl-17-(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene is Cc1ccc2c(c1)Oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)cc3c1N2c1ccc(C(F)(F)F)cc1O3.
What is the InChIKey of 11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methyl-17-(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
The InChIKey is AIAOJNYGWVKJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H32F3N5O2/c1-31-19-22-43-45(25-31)62-47-28-36(29-48-49(47)61(43)44-24-21-37(53(54,55)56)30-46(44)63-48)34-20-23-42-40(27-34)39-17-8-9-18-41(39)60(42)38-16-10-15-35(26-38)52-58-50(32-11-4-2-5-12-32)57-51(59-52)33-13-6-3-7-14-33/h2-30H,1H3.
What are the key properties of 11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methyl-17-(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene?
11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methyl-17-(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene has a molecular weight of 827.87 g/mol, XLogP of 14.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-methyl-17-(trifluoromethyl)-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene is sourced from PubChem (CID 146947275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).