11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,14-diphenyl-4-oxa-6,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene

C44H27N5O — CID 176647144

IUPAC11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,14-diphenyl-4-oxa-6,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c(c5ccccc5n4-c4ccccc4)c4c3ccc3nc(-c5ccccc5)oc34)n2)cc1
InChIInChI=1S/C44H27N5O/c1-5-15-28(16-6-1)41-46-42(29-17-7-2-8-18-29)48-43(47-41)34-27-37-38(33-23-13-14-24-36(33)49(37)31-21-11-4-12-22-31)39-32(34)25-26-35-40(39)50-44(45-35)30-19-9-3-10-20-30/h1-27H
InChIKeyMUWAQIAPPLLAMX-UHFFFAOYSA-N
MW641.73 g/mol
LogP10.93
Rot. Bonds5

About 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,14-diphenyl-4-oxa-6,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,14-diphenyl-4-oxa-6,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene (PubChem CID 176647144) has the molecular formula C44H27N5O and a molecular weight of 641.73 g/mol. Its IUPAC name is 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,14-diphenyl-4-oxa-6,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene.

Molecular Properties

Compound Name11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,14-diphenyl-4-oxa-6,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
PubChem CID176647144
Molecular FormulaC44H27N5O
Molecular Weight641.73 g/mol
Exact Mass641.22
IUPAC Name11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,14-diphenyl-4-oxa-6,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c(c5ccccc5n4-c4ccccc4)c4c3ccc3nc(-c5ccccc5)oc34)n2)cc1
InChIInChI=1S/C44H27N5O/c1-5-15-28(16-6-1)41-46-42(29-17-7-2-8-18-29)48-43(47-41)34-27-37-38(33-23-13-14-24-36(33)49(37)31-21-11-4-12-22-31)39-32(34)25-26-35-40(39)50-44(45-35)30-19-9-3-10-20-30/h1-27H
InChIKeyMUWAQIAPPLLAMX-UHFFFAOYSA-N
XLogP10.93
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.73
LogP ≤ 510.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,14-diphenyl-4-oxa-6,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-23-oxa-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 118375888
18-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,14-diphenyl-4-oxa-6,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene
CID 176647004
2-phenyl-7-[4-[3-[3-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 170681673
2-phenyl-6-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-[1,3]oxazolo[4,5-c]carbazole;2-phenyl-6-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1,3]oxazolo[4,5-c]carbazole
CID 159252427
6-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole
CID 159794158
9-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764453
6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole
CID 118228651
18-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaene
CID 176631266
14-phenyl-5-[3-[4-phenyl-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-oxa-6,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
CID 176647201
16-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,14-diphenyl-4-oxa-6,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene
CID 176647112
5-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene
CID 176647012
6-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(2,6-dipyridin-4-ylpyrimidin-4-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole;6-[4-(4,6-dipyridin-4-ylpyrimidin-2-yl)phenyl]-2-phenyl-[1,3]oxazolo[4,5-c]carbazole
CID 159825657

Frequently Asked Questions

What is the IUPAC name of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,14-diphenyl-4-oxa-6,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene?
The IUPAC name of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,14-diphenyl-4-oxa-6,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene (CID 176647144) is 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,14-diphenyl-4-oxa-6,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene.
What is the SMILES notation for 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,14-diphenyl-4-oxa-6,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene?
The canonical SMILES for 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,14-diphenyl-4-oxa-6,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3cc4c(c5ccccc5n4-c4ccccc4)c4c3ccc3nc(-c5ccccc5)oc34)n2)cc1.
What is the InChIKey of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,14-diphenyl-4-oxa-6,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene?
The InChIKey is MUWAQIAPPLLAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N5O/c1-5-15-28(16-6-1)41-46-42(29-17-7-2-8-18-29)48-43(47-41)34-27-37-38(33-23-13-14-24-36(33)49(37)31-21-11-4-12-22-31)39-32(34)25-26-35-40(39)50-44(45-35)30-19-9-3-10-20-30/h1-27H.
What are the key properties of 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,14-diphenyl-4-oxa-6,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene?
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,14-diphenyl-4-oxa-6,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene has a molecular weight of 641.73 g/mol, XLogP of 10.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,14-diphenyl-4-oxa-6,14-diazapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15,17,19-nonaene is sourced from PubChem (CID 176647144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).