10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-10,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17,19(27),20,22,24-dodecaene

C44H24N6O — CID 167271132

IUPAC10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-10,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17,19(27),20,22,24-dodecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccc6oc7ccc8c9ccccc9n9c%10cccc4c%10c5c6c7c89)n3)n2)cc1
InChIInChI=1S/C44H24N6O/c1-3-11-25(12-4-1)42-46-43(26-13-5-2-6-14-26)48-44(47-42)29-16-9-20-36(45-29)49-31-18-10-19-32-37(31)38-33(49)22-24-34-39(38)40-35(51-34)23-21-28-27-15-7-8-17-30(27)50(32)41(28)40/h1-24H
InChIKeyBRCIOFMLHPFQKQ-UHFFFAOYSA-N
MW652.72 g/mol
LogP10.70
Rot. Bonds4

About 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-10,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17,19(27),20,22,24-dodecaene

10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-10,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17,19(27),20,22,24-dodecaene (PubChem CID 167271132) has the molecular formula C44H24N6O and a molecular weight of 652.72 g/mol. Its IUPAC name is 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-10,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17,19(27),20,22,24-dodecaene.

Molecular Properties

Compound Name10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-10,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17,19(27),20,22,24-dodecaene
PubChem CID167271132
Molecular FormulaC44H24N6O
Molecular Weight652.72 g/mol
Exact Mass652.20
IUPAC Name10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-10,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17,19(27),20,22,24-dodecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccc6oc7ccc8c9ccccc9n9c%10cccc4c%10c5c6c7c89)n3)n2)cc1
InChIInChI=1S/C44H24N6O/c1-3-11-25(12-4-1)42-46-43(26-13-5-2-6-14-26)48-44(47-42)29-16-9-20-36(45-29)49-31-18-10-19-32-37(31)38-33(49)22-24-34-39(38)40-35(51-34)23-21-28-27-15-7-8-17-30(27)50(32)41(28)40/h1-24H
InChIKeyBRCIOFMLHPFQKQ-UHFFFAOYSA-N
XLogP10.70
TPSA74.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.72
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-10,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17,19(27),20,22,24-dodecaene with MolForge

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Related Compounds

10-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-15-oxa-10,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
CID 167272039
10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-15-oxa-10,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17,19(27),20,22,24-dodecaene
CID 167271131
10-(4-phenylbenzo[h]quinazolin-2-yl)-15-oxa-10,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
CID 167271816
15-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4,15-diazaoctacyclo[14.12.0.02,14.03,11.04,26.05,10.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene
CID 162770140
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,19-diazaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8,10,12,16,20,22,24,26(30),27-tetradecaene
CID 134437111
10-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-15-thia-10,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17,19(27),20,22,24-dodecaene
CID 167271710
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-(6-phenyl-2-pyridinyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118504570
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-1,8-diazahexacyclo[11.9.2.02,7.09,24.016,23.017,22]tetracosa-2,4,6,9,11,13(24),14,16(23),17,19,21-undecaene
CID 170381313
5-[4-phenyl-6-[11-(6-phenyl-2-pyridinyl)indolo[2,3-a]carbazol-12-yl]-1,3,5-triazin-2-yl]-12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazole
CID 88917460
14-(4,6-diphenyl-1,3,5-triazin-2-yl)-26-phenyl-25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12(17),13,15,18(23),19,21-dodecaene
CID 158972416
26-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
CID 134221324
5,12-bis[6-(3-carbazol-9-ylphenyl)-2-pyridinyl]indolo[3,2-c]carbazole;5,12-bis(6-carbazol-9-yl-2-pyridinyl)indolo[3,2-c]carbazole;5,12-bis[6-(6-carbazol-9-yl-2-pyridinyl)-2-pyridinyl]indolo[3,2-c]carbazole;5,12-bis[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]indolo[3,2-c]carbazole;5,12-bis(6-naphthalen-1-yl-2-pyridinyl)indolo[3,2-c]carbazole;5-phenyl-12-(6-phenyl-2-pyridinyl)indolo[3,2-c]carbazole
CID 161023175

Frequently Asked Questions

What is the IUPAC name of 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-10,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17,19(27),20,22,24-dodecaene?
The IUPAC name of 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-10,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17,19(27),20,22,24-dodecaene (CID 167271132) is 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-10,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17,19(27),20,22,24-dodecaene.
What is the SMILES notation for 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-10,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17,19(27),20,22,24-dodecaene?
The canonical SMILES for 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-10,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17,19(27),20,22,24-dodecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccc6oc7ccc8c9ccccc9n9c%10cccc4c%10c5c6c7c89)n3)n2)cc1.
What is the InChIKey of 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-10,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17,19(27),20,22,24-dodecaene?
The InChIKey is BRCIOFMLHPFQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24N6O/c1-3-11-25(12-4-1)42-46-43(26-13-5-2-6-14-26)48-44(47-42)29-16-9-20-36(45-29)49-31-18-10-19-32-37(31)38-33(49)22-24-34-39(38)40-35(51-34)23-21-28-27-15-7-8-17-30(27)50(32)41(28)40/h1-24H.
What are the key properties of 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-10,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17,19(27),20,22,24-dodecaene?
10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-10,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17,19(27),20,22,24-dodecaene has a molecular weight of 652.72 g/mol, XLogP of 10.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-10,26-diazaoctacyclo[14.11.0.02,14.03,11.04,9.05,26.019,27.020,25]heptacosa-1(16),2(14),3(11),4(9),5,7,12,17,19(27),20,22,24-dodecaene is sourced from PubChem (CID 167271132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).