6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-15-oxa-3,6,24,27-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(27),2,4,7,9,11,13,16,18,20,22,25-dodecaene

C49H29N7O — CID 121400448

IUPAC6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-15-oxa-3,6,24,27-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(27),2,4,7,9,11,13,16,18,20,22,25-dodecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7c(ncc8c7c7ccccc7n8-c7ccccc7)c6ncc54)cc3)n2)cc1
InChIInChI=1S/C49H29N7O/c1-4-14-30(15-5-1)47-52-48(31-16-6-2-7-17-31)54-49(53-47)32-24-26-34(27-25-32)56-38-23-13-11-21-36(38)42-40(56)29-51-44-43-45(57-46(42)44)41-35-20-10-12-22-37(35)55(39(41)28-50-43)33-18-8-3-9-19-33/h1-29H
InChIKeyIBMFVSYCDJSXNA-UHFFFAOYSA-N
MW731.82 g/mol
LogP11.76
Rot. Bonds5

About 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-15-oxa-3,6,24,27-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(27),2,4,7,9,11,13,16,18,20,22,25-dodecaene

6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-15-oxa-3,6,24,27-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(27),2,4,7,9,11,13,16,18,20,22,25-dodecaene (PubChem CID 121400448) has the molecular formula C49H29N7O and a molecular weight of 731.82 g/mol. Its IUPAC name is 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-15-oxa-3,6,24,27-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(27),2,4,7,9,11,13,16,18,20,22,25-dodecaene.

Molecular Properties

Compound Name6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-15-oxa-3,6,24,27-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(27),2,4,7,9,11,13,16,18,20,22,25-dodecaene
PubChem CID121400448
Molecular FormulaC49H29N7O
Molecular Weight731.82 g/mol
Exact Mass731.24
IUPAC Name6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-15-oxa-3,6,24,27-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(27),2,4,7,9,11,13,16,18,20,22,25-dodecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7c(ncc8c7c7ccccc7n8-c7ccccc7)c6ncc54)cc3)n2)cc1
InChIInChI=1S/C49H29N7O/c1-4-14-30(15-5-1)47-52-48(31-16-6-2-7-17-31)54-49(53-47)32-24-26-34(27-25-32)56-38-23-13-11-21-36(38)42-40(56)29-51-44-43-45(57-46(42)44)41-35-20-10-12-22-37(35)55(39(41)28-50-43)33-18-8-3-9-19-33/h1-29H
InChIKeyIBMFVSYCDJSXNA-UHFFFAOYSA-N
XLogP11.76
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.82
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-15-oxa-3,6,24,27-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(27),2,4,7,9,11,13,16,18,20,22,25-dodecaene with MolForge

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Related Compounds

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
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-18,27-diphenyl-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 135227760
9-[4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 122425259
9-[4-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]carbazole
CID 59779621
3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 118502129
20-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-9,12,15,20-tetrazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 139524711
25-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-26-phenyl-25,26-diazaheptacyclo[20.2.1.110,13.05,24.06,11.012,17.018,23]hexacosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene
CID 163606277
9,18,27-tris[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 135227811
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-10,20,24-triphenyl-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(12),8,10,17(25),18(23),19,21,26-dodecaene
CID 121400422
9-[4-[4-(4-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 142751576
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 139481059
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(4-phenylphenyl)-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 140937273

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-15-oxa-3,6,24,27-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(27),2,4,7,9,11,13,16,18,20,22,25-dodecaene?
The IUPAC name of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-15-oxa-3,6,24,27-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(27),2,4,7,9,11,13,16,18,20,22,25-dodecaene (CID 121400448) is 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-15-oxa-3,6,24,27-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(27),2,4,7,9,11,13,16,18,20,22,25-dodecaene.
What is the SMILES notation for 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-15-oxa-3,6,24,27-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(27),2,4,7,9,11,13,16,18,20,22,25-dodecaene?
The canonical SMILES for 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-15-oxa-3,6,24,27-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(27),2,4,7,9,11,13,16,18,20,22,25-dodecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6oc7c(ncc8c7c7ccccc7n8-c7ccccc7)c6ncc54)cc3)n2)cc1.
What is the InChIKey of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-15-oxa-3,6,24,27-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(27),2,4,7,9,11,13,16,18,20,22,25-dodecaene?
The InChIKey is IBMFVSYCDJSXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29N7O/c1-4-14-30(15-5-1)47-52-48(31-16-6-2-7-17-31)54-49(53-47)32-24-26-34(27-25-32)56-38-23-13-11-21-36(38)42-40(56)29-51-44-43-45(57-46(42)44)41-35-20-10-12-22-37(35)55(39(41)28-50-43)33-18-8-3-9-19-33/h1-29H.
What are the key properties of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-15-oxa-3,6,24,27-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(27),2,4,7,9,11,13,16,18,20,22,25-dodecaene?
6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-15-oxa-3,6,24,27-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(27),2,4,7,9,11,13,16,18,20,22,25-dodecaene has a molecular weight of 731.82 g/mol, XLogP of 11.76, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-24-phenyl-15-oxa-3,6,24,27-tetrazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(27),2,4,7,9,11,13,16,18,20,22,25-dodecaene is sourced from PubChem (CID 121400448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).