9-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

C43H26N4O — CID 155335480

IUPAC9-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5oc6c7ccccc7c(-c7ccccc7)cc6c5ccc43)n2)cc1
InChIInChI=1S/C43H26N4O/c1-4-14-27(15-5-1)34-26-35-32-24-25-37-38(40(32)48-39(35)31-21-11-10-20-30(31)34)33-22-12-13-23-36(33)47(37)43-45-41(28-16-6-2-7-17-28)44-42(46-43)29-18-8-3-9-19-29/h1-26H
InChIKeyKGZUDLXLFCXWDP-UHFFFAOYSA-N
MW614.71 g/mol
LogP11.02
Rot. Bonds4

About 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (PubChem CID 155335480) has the molecular formula C43H26N4O and a molecular weight of 614.71 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.

Molecular Properties

Compound Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
PubChem CID155335480
Molecular FormulaC43H26N4O
Molecular Weight614.71 g/mol
Exact Mass614.21
IUPAC Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5oc6c7ccccc7c(-c7ccccc7)cc6c5ccc43)n2)cc1
InChIInChI=1S/C43H26N4O/c1-4-14-27(15-5-1)34-26-35-32-24-25-37-38(40(32)48-39(35)31-21-11-10-20-30(31)34)33-22-12-13-23-36(33)47(37)43-45-41(28-16-6-2-7-17-28)44-42(46-43)29-18-8-3-9-19-29/h1-26H
InChIKeyKGZUDLXLFCXWDP-UHFFFAOYSA-N
XLogP11.02
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.71
LogP ≤ 511.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene with MolForge

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Related Compounds

21-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 155335290
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-phenyl-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene;16-phenyl-9-[4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene;22-phenyl-9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-oxa-9-azahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 160772208
5-(4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 155485303
24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-12,15-dioxa-24-azaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
CID 146280481
5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 176837415
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenanthren-9-yl-[1]benzofuro[3,2-c]carbazole
CID 146541321
9-[4-phenyl-6-[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171599823
11-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146541205
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-11-(1-phenylcarbazol-9-yl)-[1]benzofuro[3,2-c]carbazole
CID 171591577
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-pyridin-4-yl-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 121400472
12-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-8,10-diphenyl-[1]benzofuro[2,3-a]carbazole
CID 164757777
13-benzo[c]carbazol-7-yl-8,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 170371534

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene (CID 155335480) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene.
What is the SMILES notation for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c5oc6c7ccccc7c(-c7ccccc7)cc6c5ccc43)n2)cc1.
What is the InChIKey of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
The InChIKey is KGZUDLXLFCXWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4O/c1-4-14-27(15-5-1)34-26-35-32-24-25-37-38(40(32)48-39(35)31-21-11-10-20-30(31)34)33-22-12-13-23-36(33)47(37)43-45-41(28-16-6-2-7-17-28)44-42(46-43)29-18-8-3-9-19-29/h1-26H.
What are the key properties of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene?
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene has a molecular weight of 614.71 g/mol, XLogP of 11.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-16-phenyl-24-oxa-9-azahexacyclo[11.11.0.02,10.03,8.014,23.017,22]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene is sourced from PubChem (CID 155335480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).