13-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene

C46H26N4O2 — CID 177085986

IUPAC13-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene
SMILESc1ccc(-c2nc3c(ccc4oc5c(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)c6ccccc6cc5c43)o2)cc1
InChIInChI=1S/C46H26N4O2/c1-2-12-29(13-3-1)46-47-41-38(52-46)23-22-37-39(41)36-26-32-16-8-9-17-35(32)40(42(36)51-37)45-49-43(33-20-18-27-10-4-6-14-30(27)24-33)48-44(50-45)34-21-19-28-11-5-7-15-31(28)25-34/h1-26H
InChIKeyYIZURXUIGNFVDF-UHFFFAOYSA-N
MW666.74 g/mol
LogP12.04
Rot. Bonds4

About 13-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene

13-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene (PubChem CID 177085986) has the molecular formula C46H26N4O2 and a molecular weight of 666.74 g/mol. Its IUPAC name is 13-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene.

Molecular Properties

Compound Name13-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene
PubChem CID177085986
Molecular FormulaC46H26N4O2
Molecular Weight666.74 g/mol
Exact Mass666.21
IUPAC Name13-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene
SMILESc1ccc(-c2nc3c(ccc4oc5c(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)c6ccccc6cc5c43)o2)cc1
InChIInChI=1S/C46H26N4O2/c1-2-12-29(13-3-1)46-47-41-38(52-46)23-22-37-39(41)36-26-32-16-8-9-17-35(32)40(42(36)51-37)45-49-43(33-20-18-27-10-4-6-14-30(27)24-33)48-44(50-45)34-21-19-28-11-5-7-15-31(28)25-34/h1-26H
InChIKeyYIZURXUIGNFVDF-UHFFFAOYSA-N
XLogP12.04
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.74
LogP ≤ 512.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 13-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene with MolForge

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Related Compounds

10-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazole
CID 170776778
18-(4-naphthalen-2-yl-6-phenanthren-9-yl-1,3,5-triazin-2-yl)-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15(20),16,18-nonaene
CID 177085945
16-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15(20),16,18-nonaene
CID 177086323
2,4-dinaphthalen-2-yl-6-[6-(4-phenylphenyl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
CID 170212992
14-[4-naphthalen-2-yl-6-(2-phenyl-1,3-benzoxazol-5-yl)-1,3,5-triazin-2-yl]-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene
CID 177085947
5-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazole
CID 167125281
2,4-dinaphthalen-2-yl-6-[6-(6-phenylnaphthalen-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]-1,3,5-triazine
CID 170212995
2-naphthalen-2-yl-4-(6-phenanthren-2-ylnaphtho[2,3-b][1]benzofuran-2-yl)-6-phenyl-1,3,5-triazine
CID 170213203
8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylphenanthro[2,1-e][1,3]benzoxazole
CID 170122475
13-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene
CID 177085978
13-[4-(3-carbazol-9-ylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene
CID 177085895
16-[4-naphthalen-1-yl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(12),2(10),3(7),4,8,13,15,17,19-nonaene
CID 177086066

Frequently Asked Questions

What is the IUPAC name of 13-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene?
The IUPAC name of 13-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene (CID 177085986) is 13-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene.
What is the SMILES notation for 13-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene?
The canonical SMILES for 13-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene is c1ccc(-c2nc3c(ccc4oc5c(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8ccccc8c7)n6)c6ccccc6cc5c43)o2)cc1.
What is the InChIKey of 13-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene?
The InChIKey is YIZURXUIGNFVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N4O2/c1-2-12-29(13-3-1)46-47-41-38(52-46)23-22-37-39(41)36-26-32-16-8-9-17-35(32)40(42(36)51-37)45-49-43(33-20-18-27-10-4-6-14-30(27)24-33)48-44(50-45)34-21-19-28-11-5-7-15-31(28)25-34/h1-26H.
What are the key properties of 13-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene?
13-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene has a molecular weight of 666.74 g/mol, XLogP of 12.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-phenyl-6,11-dioxa-4-azapentacyclo[10.8.0.02,10.03,7.014,19]icosa-1(20),2(10),3(7),4,8,12,14,16,18-nonaene is sourced from PubChem (CID 177085986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).