12-[4-(2-naphthalen-2-ylphenyl)-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

C55H32N4O — CID 163931104

IUPAC12-[4-(2-naphthalen-2-ylphenyl)-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESc1ccc(-c2nc(-c3cc4ccccc4c4oc5ccccc5c34)nc(-n3c4c5ccccc5ccc4c4ccc5ccccc5c43)n2)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C55H32N4O/c1-2-16-36-31-38(26-25-33(36)13-1)39-18-9-10-22-45(39)53-56-54(47-32-37-17-5-8-21-42(37)52-49(47)46-23-11-12-24-48(46)60-52)58-55(57-53)59-50-40-19-6-3-14-34(40)27-29-43(50)44-30-28-35-15-4-7-20-41(35)51(44)59/h1-32H
InChIKeyRISXGEZORPXCBL-UHFFFAOYSA-N
MW764.89 g/mol
LogP14.48
Rot. Bonds4

About 12-[4-(2-naphthalen-2-ylphenyl)-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene

12-[4-(2-naphthalen-2-ylphenyl)-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (PubChem CID 163931104) has the molecular formula C55H32N4O and a molecular weight of 764.89 g/mol. Its IUPAC name is 12-[4-(2-naphthalen-2-ylphenyl)-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.

Molecular Properties

Compound Name12-[4-(2-naphthalen-2-ylphenyl)-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
PubChem CID163931104
Molecular FormulaC55H32N4O
Molecular Weight764.89 g/mol
Exact Mass764.26
IUPAC Name12-[4-(2-naphthalen-2-ylphenyl)-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
SMILESc1ccc(-c2nc(-c3cc4ccccc4c4oc5ccccc5c34)nc(-n3c4c5ccccc5ccc4c4ccc5ccccc5c43)n2)c(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C55H32N4O/c1-2-16-36-31-38(26-25-33(36)13-1)39-18-9-10-22-45(39)53-56-54(47-32-37-17-5-8-21-42(37)52-49(47)46-23-11-12-24-48(46)60-52)58-55(57-53)59-50-40-19-6-3-14-34(40)27-29-43(50)44-30-28-35-15-4-7-20-41(35)51(44)59/h1-32H
InChIKeyRISXGEZORPXCBL-UHFFFAOYSA-N
XLogP14.48
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.89
LogP ≤ 514.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 12-[4-(2-naphthalen-2-ylphenyl)-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene 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-naphtho[1,2-b][1]benzofuran-6-yl-6-(3-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163867401
12-[4-naphtho[1,2-b][1]benzofuran-6-yl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163629647
12-(4-naphthalen-2-yl-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 163618380
2-dibenzofuran-1-yl-4-naphthalen-2-yl-6-(7-naphtho[1,2-b][1]benzofuran-6-yldibenzofuran-1-yl)-1,3,5-triazine
CID 166740982
9-[4-[3-(4-naphthalen-2-ylphenyl)phenyl]-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]carbazole
CID 169053891
10-dibenzofuran-1-yl-11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzo[a]carbazole
CID 142569857
11-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-naphtho[2,3-b][1]benzofuran-6-ylbenzo[a]carbazole
CID 142570633
2-(4-naphthalen-1-ylphenyl)-4,6-bis(naphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176775561
2-naphthalen-2-yl-4-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176854017
2-naphthalen-2-yl-4-(9-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-6-yl)-6-phenyl-1,3,5-triazine
CID 177130942
2-dibenzofuran-3-yl-4-naphthalen-2-yl-6-(3-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-1,3,5-triazine
CID 176853943
2-naphthalen-2-yl-4-(2-phenylnaphtho[1,2-b][1]benzofuran-6-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176853968

Frequently Asked Questions

What is the IUPAC name of 12-[4-(2-naphthalen-2-ylphenyl)-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The IUPAC name of 12-[4-(2-naphthalen-2-ylphenyl)-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene (CID 163931104) is 12-[4-(2-naphthalen-2-ylphenyl)-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene.
What is the SMILES notation for 12-[4-(2-naphthalen-2-ylphenyl)-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The canonical SMILES for 12-[4-(2-naphthalen-2-ylphenyl)-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is c1ccc(-c2nc(-c3cc4ccccc4c4oc5ccccc5c34)nc(-n3c4c5ccccc5ccc4c4ccc5ccccc5c43)n2)c(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 12-[4-(2-naphthalen-2-ylphenyl)-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
The InChIKey is RISXGEZORPXCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4O/c1-2-16-36-31-38(26-25-33(36)13-1)39-18-9-10-22-45(39)53-56-54(47-32-37-17-5-8-21-42(37)52-49(47)46-23-11-12-24-48(46)60-52)58-55(57-53)59-50-40-19-6-3-14-34(40)27-29-43(50)44-30-28-35-15-4-7-20-41(35)51(44)59/h1-32H.
What are the key properties of 12-[4-(2-naphthalen-2-ylphenyl)-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene?
12-[4-(2-naphthalen-2-ylphenyl)-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene has a molecular weight of 764.89 g/mol, XLogP of 14.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[4-(2-naphthalen-2-ylphenyl)-6-naphtho[1,2-b][1]benzofuran-6-yl-1,3,5-triazin-2-yl]-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene is sourced from PubChem (CID 163931104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).