5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene

C45H25N5O3 — CID 142461178

IUPAC5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cc6c7c(c5)Oc5cccc8c5N7c5c(cccc5O6)O8)ccc43)n2)cc1
InChIInChI=1S/C45H25N5O3/c1-3-11-26(12-4-1)43-46-44(27-13-5-2-6-14-27)48-45(47-43)49-32-16-8-7-15-30(32)31-23-28(21-22-33(31)49)29-24-38-42-39(25-29)53-37-20-10-18-35-41(37)50(42)40-34(51-35)17-9-19-36(40)52-38/h1-25H
InChIKeyQAKKXRKETHHXNU-UHFFFAOYSA-N
MW683.73 g/mol
LogP11.76
Rot. Bonds4

About 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene

5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene (PubChem CID 142461178) has the molecular formula C45H25N5O3 and a molecular weight of 683.73 g/mol. Its IUPAC name is 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

Compound Name5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
PubChem CID142461178
Molecular FormulaC45H25N5O3
Molecular Weight683.73 g/mol
Exact Mass683.20
IUPAC Name5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cc6c7c(c5)Oc5cccc8c5N7c5c(cccc5O6)O8)ccc43)n2)cc1
InChIInChI=1S/C45H25N5O3/c1-3-11-26(12-4-1)43-46-44(27-13-5-2-6-14-27)48-45(47-43)49-32-16-8-7-15-30(32)31-23-28(21-22-33(31)49)29-24-38-42-39(25-29)53-37-20-10-18-35-41(37)50(42)40-34(51-35)17-9-19-36(40)52-38/h1-25H
InChIKeyQAKKXRKETHHXNU-UHFFFAOYSA-N
XLogP11.76
TPSA74.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.73
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene with MolForge

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Related Compounds

11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-5,17-dipyridin-4-yl-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 147959771
11-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;methane
CID 162033819
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)-15,21-dioxa-1,11-diazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5(10),6,8,12,16,18,20(28),22,24,26-dodecaene
CID 134560001
6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-10-phenyl-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 118441952
tris(3-phenylphenyl)-[3-[4-phenyl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]silane
CID 168836420
9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 154978544
9-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 146491413
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 162483719
3-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 146573156
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
3,6-di(carbazol-9-yl)-9-[6-(3,5-diphenylphenyl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole
CID 88878795
9-[4-(3-phenylphenyl)-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 176831267

Frequently Asked Questions

What is the IUPAC name of 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?
The IUPAC name of 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene (CID 142461178) is 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene.
What is the SMILES notation for 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?
The canonical SMILES for 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cc6c7c(c5)Oc5cccc8c5N7c5c(cccc5O6)O8)ccc43)n2)cc1.
What is the InChIKey of 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?
The InChIKey is QAKKXRKETHHXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25N5O3/c1-3-11-26(12-4-1)43-46-44(27-13-5-2-6-14-27)48-45(47-43)49-32-16-8-7-15-30(32)31-23-28(21-22-33(31)49)29-24-38-42-39(25-29)53-37-20-10-18-35-41(37)50(42)40-34(51-35)17-9-19-36(40)52-38/h1-25H.
What are the key properties of 5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene?
5-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 683.73 g/mol, XLogP of 11.76, 4 rotatable bonds, 0 hydrogen bond donors, and 8 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]-8,14,22-trioxa-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 142461178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).