30-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(29),26-tetradecaene

C43H24N4O — CID 164840627

IUPAC30-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(29),26-tetradecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4cccc5c4c4c(c6c(cc43)oc3ccccc36)-c3cccc4cccc-5c34)n2)cc1
InChIInChI=1S/C43H24N4O/c1-3-12-26(13-4-1)41-44-42(27-14-5-2-6-15-27)46-43(45-41)47-32-22-11-20-29-28-19-9-16-25-17-10-21-31(36(25)28)39-38-30-18-7-8-23-34(30)48-35(38)24-33(47)40(39)37(29)32/h1-24H
InChIKeyIYAFZDJRKACSOF-UHFFFAOYSA-N
MW612.69 g/mol
LogP11.00
Rot. Bonds3

About 30-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(29),26-tetradecaene

30-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(29),26-tetradecaene (PubChem CID 164840627) has the molecular formula C43H24N4O and a molecular weight of 612.69 g/mol. Its IUPAC name is 30-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(29),26-tetradecaene.

Molecular Properties

Compound Name30-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(29),26-tetradecaene
PubChem CID164840627
Molecular FormulaC43H24N4O
Molecular Weight612.69 g/mol
Exact Mass612.20
IUPAC Name30-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(29),26-tetradecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4cccc5c4c4c(c6c(cc43)oc3ccccc36)-c3cccc4cccc-5c34)n2)cc1
InChIInChI=1S/C43H24N4O/c1-3-12-26(13-4-1)41-44-42(27-14-5-2-6-15-27)46-43(45-41)47-32-22-11-20-29-28-19-9-16-25-17-10-21-31(36(25)28)39-38-30-18-7-8-23-34(30)48-35(38)24-33(47)40(39)37(29)32/h1-24H
InChIKeyIYAFZDJRKACSOF-UHFFFAOYSA-N
XLogP11.00
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.69
LogP ≤ 511.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 30-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(29),26-tetradecaene with MolForge

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Related Compounds

2-[4-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 163519891
3-[4-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 163430381
27-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-27-azaheptacyclo[16.7.1.110,13.02,11.03,8.012,17.022,26]heptacosa-1(25),2(11),3,5,7,9,12(17),13,15,18,20,22(26),23-tridecaene
CID 155429721
2-dibenzofuran-1-yl-4-[2-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 163862229
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
CID 118564899
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 160515584
9-[4-(9-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358093
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164821821
4-(8-dibenzofuran-1-yldibenzofuran-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 170366972
2-naphthalen-2-yl-4-[5-(11-oxahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaen-3-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 163928791
20-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-oxa-20-azapentacyclo[15.2.1.05,19.06,11.013,18]icosa-1,3,5(19),6,8,10,13,15,17-nonaene
CID 129229746
1-dibenzofuran-1-yl-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 163882752

Frequently Asked Questions

What is the IUPAC name of 30-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(29),26-tetradecaene?
The IUPAC name of 30-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(29),26-tetradecaene (CID 164840627) is 30-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(29),26-tetradecaene.
What is the SMILES notation for 30-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(29),26-tetradecaene?
The canonical SMILES for 30-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(29),26-tetradecaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cccc5c4c4c(c6c(cc43)oc3ccccc36)-c3cccc4cccc-5c34)n2)cc1.
What is the InChIKey of 30-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(29),26-tetradecaene?
The InChIKey is IYAFZDJRKACSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H24N4O/c1-3-12-26(13-4-1)41-44-42(27-14-5-2-6-15-27)46-43(45-41)47-32-22-11-20-29-28-19-9-16-25-17-10-21-31(36(25)28)39-38-30-18-7-8-23-34(30)48-35(38)24-33(47)40(39)37(29)32/h1-24H.
What are the key properties of 30-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(29),26-tetradecaene?
30-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(29),26-tetradecaene has a molecular weight of 612.69 g/mol, XLogP of 11.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 30-(4,6-diphenyl-1,3,5-triazin-2-yl)-10-oxa-30-azaoctacyclo[19.7.1.113,16.02,14.03,11.04,9.015,20.025,29]triaconta-1(28),2(14),3(11),4,6,8,12,15(20),16,18,21,23,25(29),26-tetradecaene is sourced from PubChem (CID 164840627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).