12-[3-dibenzofuran-2-yl-4-[2,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene

C65H38N4O3 — CID 155430552

IUPAC12-[3-dibenzofuran-2-yl-4-[2,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
SMILESc1ccc2cc3c(cc2c1)c1ccc2ccccc2c1n3-c1ccc(C2=NC(c3cccc4oc5ccccc5c34)NC(c3cccc4oc5ccccc5c34)=N2)c(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C65H38N4O3/c1-2-15-39-35-53-51(33-38(39)14-1)44-30-27-37-13-3-4-16-42(37)62(44)69(53)41-29-31-45(50(36-41)40-28-32-57-52(34-40)43-17-5-8-22-54(43)70-57)63-66-64(48-20-11-25-58-60(48)46-18-6-9-23-55(46)71-58)68-65(67-63)49-21-12-26-59-61(49)47-19-7-10-24-56(47)72-59/h1-36,64H,(H,66,67,68)
InChIKeyWUYDXIHDOQYTJI-UHFFFAOYSA-N
MW923.04 g/mol
LogP16.95
Rot. Bonds5

About 12-[3-dibenzofuran-2-yl-4-[2,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene

12-[3-dibenzofuran-2-yl-4-[2,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene (PubChem CID 155430552) has the molecular formula C65H38N4O3 and a molecular weight of 923.04 g/mol. Its IUPAC name is 12-[3-dibenzofuran-2-yl-4-[2,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene.

Molecular Properties

Compound Name12-[3-dibenzofuran-2-yl-4-[2,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
PubChem CID155430552
Molecular FormulaC65H38N4O3
Molecular Weight923.04 g/mol
Exact Mass922.29
IUPAC Name12-[3-dibenzofuran-2-yl-4-[2,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
SMILESc1ccc2cc3c(cc2c1)c1ccc2ccccc2c1n3-c1ccc(C2=NC(c3cccc4oc5ccccc5c34)NC(c3cccc4oc5ccccc5c34)=N2)c(-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C65H38N4O3/c1-2-15-39-35-53-51(33-38(39)14-1)44-30-27-37-13-3-4-16-42(37)62(44)69(53)41-29-31-45(50(36-41)40-28-32-57-52(34-40)43-17-5-8-22-54(43)70-57)63-66-64(48-20-11-25-58-60(48)46-18-6-9-23-55(46)71-58)68-65(67-63)49-21-12-26-59-61(49)47-19-7-10-24-56(47)72-59/h1-36,64H,(H,66,67,68)
InChIKeyWUYDXIHDOQYTJI-UHFFFAOYSA-N
XLogP16.95
TPSA81.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.04
LogP ≤ 516.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 12-[3-dibenzofuran-2-yl-4-[2,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene with MolForge

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Related Compounds

12-[4-[4,6-bis(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-2-yl]-2-dibenzofuran-2-ylphenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 155475049
12-[3-dibenzofuran-2-yl-4-(4,6-diphenyl-1,2-dihydro-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155430253
12-[11-[6-(2-bicyclo[4.2.0]octa-1(6),2,4,7-tetraenyl)-4-phenyl-1,2-dihydro-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 163983136
12-[1-[2-naphthalen-1-yl-4-(9-phenylcarbazol-3-yl)-1,2-dihydro-1,3,5-triazin-6-yl]dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 167043912
2-dibenzofuran-1-yl-4-(3-naphthalen-1-yldibenzofuran-1-yl)-6-phenanthren-2-yl-1,2-dihydro-1,3,5-triazine
CID 170294238
5-[4-(2,4-dinaphthalen-1-yl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 166700827
12-[9-[2-phenyl-4-(2-phenylphenyl)-1,2-dihydro-1,3,5-triazin-6-yl]naphtho[2,1-b][1]benzofuran-4-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 163510429
5-[2-dibenzofuran-2-yl-4-[4,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzo[b]carbazole
CID 155474676
12-[1-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)dibenzofuran-3-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166700730
2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-naphthalen-2-yl-1,2-dihydro-1,3,5-triazine
CID 170250101
2-dibenzofuran-1-yl-4-(6-dibenzofuran-2-yldibenzofuran-4-yl)-6-phenyl-1,2-dihydro-1,3,5-triazine
CID 148787787
2-dibenzofuran-1-yl-6-naphthalen-2-yl-4-(4-naphthalen-2-yldibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazine
CID 170249633

Frequently Asked Questions

What is the IUPAC name of 12-[3-dibenzofuran-2-yl-4-[2,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?
The IUPAC name of 12-[3-dibenzofuran-2-yl-4-[2,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene (CID 155430552) is 12-[3-dibenzofuran-2-yl-4-[2,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene.
What is the SMILES notation for 12-[3-dibenzofuran-2-yl-4-[2,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?
The canonical SMILES for 12-[3-dibenzofuran-2-yl-4-[2,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene is c1ccc2cc3c(cc2c1)c1ccc2ccccc2c1n3-c1ccc(C2=NC(c3cccc4oc5ccccc5c34)NC(c3cccc4oc5ccccc5c34)=N2)c(-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of 12-[3-dibenzofuran-2-yl-4-[2,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?
The InChIKey is WUYDXIHDOQYTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H38N4O3/c1-2-15-39-35-53-51(33-38(39)14-1)44-30-27-37-13-3-4-16-42(37)62(44)69(53)41-29-31-45(50(36-41)40-28-32-57-52(34-40)43-17-5-8-22-54(43)70-57)63-66-64(48-20-11-25-58-60(48)46-18-6-9-23-55(46)71-58)68-65(67-63)49-21-12-26-59-61(49)47-19-7-10-24-56(47)72-59/h1-36,64H,(H,66,67,68).
What are the key properties of 12-[3-dibenzofuran-2-yl-4-[2,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene?
12-[3-dibenzofuran-2-yl-4-[2,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene has a molecular weight of 923.04 g/mol, XLogP of 16.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-dibenzofuran-2-yl-4-[2,6-di(dibenzofuran-1-yl)-1,2-dihydro-1,3,5-triazin-4-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene is sourced from PubChem (CID 155430552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).