5-naphthalen-1-yl-18-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,11-dioxa-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

C50H28N4O2 — CID 177085818

IUPAC5-naphthalen-1-yl-18-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,11-dioxa-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
SMILESc1ccc(-c2nc(-c3ccc4ccc5ccccc5c4c3)nc(-c3ccc4ccc5oc6ccc7nc(-c8cccc9ccccc89)oc7c6c5c4c3)n2)cc1
InChIInChI=1S/C50H28N4O2/c1-2-11-33(12-3-1)47-52-48(34-21-19-31-18-17-30-10-5-7-15-37(30)39(31)27-34)54-49(53-47)35-22-20-32-23-25-42-44(40(32)28-35)45-43(55-42)26-24-41-46(45)56-50(51-41)38-16-8-13-29-9-4-6-14-36(29)38/h1-28H
InChIKeyHDWZZLYZJQBQTI-UHFFFAOYSA-N
MW716.80 g/mol
LogP13.19
Rot. Bonds4

About 5-naphthalen-1-yl-18-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,11-dioxa-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

5-naphthalen-1-yl-18-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,11-dioxa-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 (PubChem CID 177085818) has the molecular formula C50H28N4O2 and a molecular weight of 716.80 g/mol. Its IUPAC name is 5-naphthalen-1-yl-18-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,11-dioxa-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.

Molecular Properties

Compound Name5-naphthalen-1-yl-18-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,11-dioxa-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
PubChem CID177085818
Molecular FormulaC50H28N4O2
Molecular Weight716.80 g/mol
Exact Mass716.22
IUPAC Name5-naphthalen-1-yl-18-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,11-dioxa-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
SMILESc1ccc(-c2nc(-c3ccc4ccc5ccccc5c4c3)nc(-c3ccc4ccc5oc6ccc7nc(-c8cccc9ccccc89)oc7c6c5c4c3)n2)cc1
InChIInChI=1S/C50H28N4O2/c1-2-11-33(12-3-1)47-52-48(34-21-19-31-18-17-30-10-5-7-15-37(30)39(31)27-34)54-49(53-47)35-22-20-32-23-25-42-44(40(32)28-35)45-43(55-42)26-24-41-46(45)56-50(51-41)38-16-8-13-29-9-4-6-14-36(29)38/h1-28H
InChIKeyHDWZZLYZJQBQTI-UHFFFAOYSA-N
XLogP13.19
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.80
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-naphthalen-1-yl-18-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,11-dioxa-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 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

18-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-yl-4,11-dioxa-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 177086146
18-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-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 177085851
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole
CID 138633683
5-naphthalen-2-yl-18-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-4,11-dioxa-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 177086231
16-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-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 177086048
18-[4-(4-naphthalen-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-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 177086163
18-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-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 177086385
5-phenyl-18-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]-4,11-dioxa-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 177085831
18-[4-naphthalen-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-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 177085742
13-[4-phenanthren-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene
CID 177086391
18-[4-[4-(1,3-benzoxazol-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-5-phenyl-4,11-dioxa-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 177086070
9-[2-(4-naphthalen-1-yl-6-phenanthren-3-yl-1,3,5-triazin-2-yl)phenyl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764233

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-18-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,11-dioxa-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?
The IUPAC name of 5-naphthalen-1-yl-18-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,11-dioxa-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 177085818) is 5-naphthalen-1-yl-18-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,11-dioxa-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.
What is the SMILES notation for 5-naphthalen-1-yl-18-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,11-dioxa-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?
The canonical SMILES for 5-naphthalen-1-yl-18-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,11-dioxa-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 is c1ccc(-c2nc(-c3ccc4ccc5ccccc5c4c3)nc(-c3ccc4ccc5oc6ccc7nc(-c8cccc9ccccc89)oc7c6c5c4c3)n2)cc1.
What is the InChIKey of 5-naphthalen-1-yl-18-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,11-dioxa-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?
The InChIKey is HDWZZLYZJQBQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N4O2/c1-2-11-33(12-3-1)47-52-48(34-21-19-31-18-17-30-10-5-7-15-37(30)39(31)27-34)54-49(53-47)35-22-20-32-23-25-42-44(40(32)28-35)45-43(55-42)26-24-41-46(45)56-50(51-41)38-16-8-13-29-9-4-6-14-36(29)38/h1-28H.
What are the key properties of 5-naphthalen-1-yl-18-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,11-dioxa-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?
5-naphthalen-1-yl-18-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,11-dioxa-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 has a molecular weight of 716.80 g/mol, XLogP of 13.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-18-(4-phenanthren-3-yl-6-phenyl-1,3,5-triazin-2-yl)-4,11-dioxa-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 is sourced from PubChem (CID 177085818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).