11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-25-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-19-oxa-4,14-diazaheptacyclo[13.11.0.02,13.03,10.05,9.018,26.020,25]hexacosa-1(15),2(13),3(10),5,8,11,16,18(26),20,22,24-undecaene

C152H93N15O3 — CID 160780344

IUPAC11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-25-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-19-oxa-4,14-diazaheptacyclo[13.11.0.02,13.03,10.05,9.018,26.020,25]hexacosa-1(15),2(13),3(10),5,8,11,16,18(26),20,22,24-undecaene
SMILESC1=c2c(n(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3c2ccc2c3c3c4c(ccc3n2-c2ccccc2)oc2ccccc24)=CC1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7cc8oc9ccccc9c8cc7n(-c7ccccc7)c6cc54)cc3)n2)cc1
InChIInChI=1S/2C51H31N5O.C50H31N5O/c1-4-14-32(15-5-1)49-52-50(33-16-6-2-7-17-33)54-51(53-49)34-24-26-36(27-25-34)55-41-22-12-10-21-39(41)45-42(55)31-29-40-46-43(56(47(40)45)35-18-8-3-9-19-35)30-28-38-37-20-11-13-23-44(37)57-48(38)46;1-4-14-32(15-5-1)49-52-50(33-16-6-2-7-17-33)54-51(53-49)34-24-26-36(27-25-34)55-43-22-12-10-20-37(43)39-28-40-41-30-48-42(38-21-11-13-23-47(38)57-48)29-44(41)56(46(40)31-45(39)55)35-18-8-3-9-19-35;1-4-13-31(14-5-1)48-51-49(32-15-6-2-7-16-32)53-50(52-48)33-23-25-35(26-24-33)55-39-21-12-20-36(39)37-27-28-41-46(47(37)55)45-40(54(41)34-17-8-3-9-18-34)29-30-43-44(45)38-19-10-11-22-42(38)56-43/h2*1-31H;1-11,13-30H,12H2
InChIKeySAMLVWZKXVISML-UHFFFAOYSA-N
MW2177.52 g/mol
LogP36.71
Rot. Bonds15

About 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-25-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-19-oxa-4,14-diazaheptacyclo[13.11.0.02,13.03,10.05,9.018,26.020,25]hexacosa-1(15),2(13),3(10),5,8,11,16,18(26),20,22,24-undecaene

11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-25-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-19-oxa-4,14-diazaheptacyclo[13.11.0.02,13.03,10.05,9.018,26.020,25]hexacosa-1(15),2(13),3(10),5,8,11,16,18(26),20,22,24-undecaene (PubChem CID 160780344) has the molecular formula C152H93N15O3 and a molecular weight of 2177.52 g/mol. Its IUPAC name is 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-25-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-19-oxa-4,14-diazaheptacyclo[13.11.0.02,13.03,10.05,9.018,26.020,25]hexacosa-1(15),2(13),3(10),5,8,11,16,18(26),20,22,24-undecaene.

Molecular Properties

Compound Name11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-25-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-19-oxa-4,14-diazaheptacyclo[13.11.0.02,13.03,10.05,9.018,26.020,25]hexacosa-1(15),2(13),3(10),5,8,11,16,18(26),20,22,24-undecaene
PubChem CID160780344
Molecular FormulaC152H93N15O3
Molecular Weight2177.52 g/mol
Exact Mass2175.76
IUPAC Name11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-25-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-19-oxa-4,14-diazaheptacyclo[13.11.0.02,13.03,10.05,9.018,26.020,25]hexacosa-1(15),2(13),3(10),5,8,11,16,18(26),20,22,24-undecaene
SMILESC1=c2c(n(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3c2ccc2c3c3c4c(ccc3n2-c2ccccc2)oc2ccccc24)=CC1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7cc8oc9ccccc9c8cc7n(-c7ccccc7)c6cc54)cc3)n2)cc1
InChIInChI=1S/2C51H31N5O.C50H31N5O/c1-4-14-32(15-5-1)49-52-50(33-16-6-2-7-17-33)54-51(53-49)34-24-26-36(27-25-34)55-41-22-12-10-21-39(41)45-42(55)31-29-40-46-43(56(47(40)45)35-18-8-3-9-19-35)30-28-38-37-20-11-13-23-44(37)57-48(38)46;1-4-14-32(15-5-1)49-52-50(33-16-6-2-7-17-33)54-51(53-49)34-24-26-36(27-25-34)55-43-22-12-10-20-37(43)39-28-40-41-30-48-42(38-21-11-13-23-47(38)57-48)29-44(41)56(46(40)31-45(39)55)35-18-8-3-9-19-35;1-4-13-31(14-5-1)48-51-49(32-15-6-2-7-16-32)53-50(52-48)33-23-25-35(26-24-33)55-39-21-12-20-36(39)37-27-28-41-46(47(37)55)45-40(54(41)34-17-8-3-9-18-34)29-30-43-44(45)38-19-10-11-22-42(38)56-43/h2*1-31H;1-11,13-30H,12H2
InChIKeySAMLVWZKXVISML-UHFFFAOYSA-N
XLogP36.71
TPSA185.01 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002177.52
LogP ≤ 536.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-25-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-19-oxa-4,14-diazaheptacyclo[13.11.0.02,13.03,10.05,9.018,26.020,25]hexacosa-1(15),2(13),3(10),5,8,11,16,18(26),20,22,24-undecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-25-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-19-oxa-4,14-diazaheptacyclo[13.11.0.02,13.03,10.05,9.018,26.020,25]hexacosa-1(15),2(13),3(10),5,8,11,16,18(26),20,22,24-undecaene?
The IUPAC name of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-25-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-19-oxa-4,14-diazaheptacyclo[13.11.0.02,13.03,10.05,9.018,26.020,25]hexacosa-1(15),2(13),3(10),5,8,11,16,18(26),20,22,24-undecaene (CID 160780344) is 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-25-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-19-oxa-4,14-diazaheptacyclo[13.11.0.02,13.03,10.05,9.018,26.020,25]hexacosa-1(15),2(13),3(10),5,8,11,16,18(26),20,22,24-undecaene.
What is the SMILES notation for 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-25-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-19-oxa-4,14-diazaheptacyclo[13.11.0.02,13.03,10.05,9.018,26.020,25]hexacosa-1(15),2(13),3(10),5,8,11,16,18(26),20,22,24-undecaene?
The canonical SMILES for 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-25-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-19-oxa-4,14-diazaheptacyclo[13.11.0.02,13.03,10.05,9.018,26.020,25]hexacosa-1(15),2(13),3(10),5,8,11,16,18(26),20,22,24-undecaene is C1=c2c(n(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3c2ccc2c3c3c4c(ccc3n2-c2ccccc2)oc2ccccc24)=CC1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc6c7cc8oc9ccccc9c8cc7n(-c7ccccc7)c6cc54)cc3)n2)cc1.
What is the InChIKey of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-25-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-19-oxa-4,14-diazaheptacyclo[13.11.0.02,13.03,10.05,9.018,26.020,25]hexacosa-1(15),2(13),3(10),5,8,11,16,18(26),20,22,24-undecaene?
The InChIKey is SAMLVWZKXVISML-UHFFFAOYSA-N. The full InChI is InChI=1S/2C51H31N5O.C50H31N5O/c1-4-14-32(15-5-1)49-52-50(33-16-6-2-7-17-33)54-51(53-49)34-24-26-36(27-25-34)55-41-22-12-10-21-39(41)45-42(55)31-29-40-46-43(56(47(40)45)35-18-8-3-9-19-35)30-28-38-37-20-11-13-23-44(37)57-48(38)46;1-4-14-32(15-5-1)49-52-50(33-16-6-2-7-17-33)54-51(53-49)34-24-26-36(27-25-34)55-43-22-12-10-20-37(43)39-28-40-41-30-48-42(38-21-11-13-23-47(38)57-48)29-44(41)56(46(40)31-45(39)55)35-18-8-3-9-19-35;1-4-13-31(14-5-1)48-51-49(32-15-6-2-7-16-32)53-50(52-48)33-23-25-35(26-24-33)55-39-21-12-20-36(39)37-27-28-41-46(47(37)55)45-40(54(41)34-17-8-3-9-18-34)29-30-43-44(45)38-19-10-11-22-42(38)56-43/h2*1-31H;1-11,13-30H,12H2.
What are the key properties of 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-25-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-19-oxa-4,14-diazaheptacyclo[13.11.0.02,13.03,10.05,9.018,26.020,25]hexacosa-1(15),2(13),3(10),5,8,11,16,18(26),20,22,24-undecaene?
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-25-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-19-oxa-4,14-diazaheptacyclo[13.11.0.02,13.03,10.05,9.018,26.020,25]hexacosa-1(15),2(13),3(10),5,8,11,16,18(26),20,22,24-undecaene has a molecular weight of 2177.52 g/mol, XLogP of 36.71, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-25-oxa-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene;24-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-15-phenyl-4-oxa-15,24-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene;4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-phenyl-19-oxa-4,14-diazaheptacyclo[13.11.0.02,13.03,10.05,9.018,26.020,25]hexacosa-1(15),2(13),3(10),5,8,11,16,18(26),20,22,24-undecaene is sourced from PubChem (CID 160780344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).