11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene

C44H27N5O — CID 135169703

IUPAC11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5c6ccccc6ccc5c5ccc6nc(-c7ccccc7)oc6c54)c3)n2)cc1
InChIInChI=1S/C44H27N5O/c1-4-14-29(15-5-1)41-46-42(30-16-6-2-7-17-30)48-43(47-41)32-20-12-21-33(27-32)49-38-34-22-11-10-13-28(34)23-24-35(38)36-25-26-37-40(39(36)49)50-44(45-37)31-18-8-3-9-19-31/h1-27H
InChIKeyJOHGSWLYBIBRCX-UHFFFAOYSA-N
MW641.73 g/mol
LogP10.93
Rot. Bonds5

About 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene

11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene (PubChem CID 135169703) has the molecular formula C44H27N5O and a molecular weight of 641.73 g/mol. Its IUPAC name is 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene.

Molecular Properties

Compound Name11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene
PubChem CID135169703
Molecular FormulaC44H27N5O
Molecular Weight641.73 g/mol
Exact Mass641.22
IUPAC Name11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5c6ccccc6ccc5c5ccc6nc(-c7ccccc7)oc6c54)c3)n2)cc1
InChIInChI=1S/C44H27N5O/c1-4-14-29(15-5-1)41-46-42(30-16-6-2-7-17-30)48-43(47-41)32-20-12-21-33(27-32)49-38-34-22-11-10-13-28(34)23-24-35(38)36-25-26-37-40(39(36)49)50-44(45-37)31-18-8-3-9-19-31/h1-27H
InChIKeyJOHGSWLYBIBRCX-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-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene with MolForge

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Related Compounds

11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene
CID 135169755
11-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene
CID 135169592
11-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene
CID 135169606
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 134365347
2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-6-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-6-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[12-(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-6-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[12-(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-6-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-6-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaen-7-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[12-(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaen-6-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[12-(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-6-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 161063374
18-[4-(3-carbazol-9-ylphenyl)-6-naphthalen-1-yl-1,3,5-triazin-2-yl]-5-phenyl-4-oxa-11-thia-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15(20),16,18-nonaene
CID 177085695
2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-6-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[12-(3-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-6-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[12-(4-phenylphenyl)-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-6-yl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[11-(3-phenylphenyl)benzo[a]carbazol-8-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[11-(4-phenylphenyl)benzo[a]carbazol-8-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[5-(3-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[5-(3-phenylphenyl)benzo[b]carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-[4-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 159394481
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
17-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4-oxa-14-thia-6-azapentacyclo[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 176647247
12-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-18-(3-phenylphenyl)-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701765
19-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-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 176631677
5-phenyl-11-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-4-oxa-6,11-diazapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene
CID 163579151

Frequently Asked Questions

What is the IUPAC name of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene?
The IUPAC name of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene (CID 135169703) is 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene.
What is the SMILES notation for 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene?
The canonical SMILES for 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5c6ccccc6ccc5c5ccc6nc(-c7ccccc7)oc6c54)c3)n2)cc1.
What is the InChIKey of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene?
The InChIKey is JOHGSWLYBIBRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N5O/c1-4-14-29(15-5-1)41-46-42(30-16-6-2-7-17-30)48-43(47-41)32-20-12-21-33(27-32)49-38-34-22-11-10-13-28(34)23-24-35(38)36-25-26-37-40(39(36)49)50-44(45-37)31-18-8-3-9-19-31/h1-27H.
What are the key properties of 11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene?
11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-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-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-phenyl-8-oxa-6,11-diazapentacyclo[10.8.0.02,10.05,9.013,18]icosa-1(12),2(10),3,5(9),6,13,15,17,19-nonaene is sourced from PubChem (CID 135169703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).