2-dibenzofuran-4-yl-4-[2-[(10S)-9-pentacyclo[10.8.0.02,7.08,10.014,19]icosa-1(20),2,4,6,12,14,16,18-octaenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine

C53H33N3O2 — CID 166699484

IUPAC2-dibenzofuran-4-yl-4-[2-[(10S)-9-pentacyclo[10.8.0.02,7.08,10.014,19]icosa-1(20),2,4,6,12,14,16,18-octaenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3c(C4C5c6ccccc6-c6cc7ccccc7cc6C[C@@H]54)ccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C53H33N3O2/c1-2-13-30(14-3-1)51-54-52(40-22-12-21-37-35-18-8-10-23-43(35)58-50(37)40)56-53(55-51)49-39(25-26-45-48(49)38-20-9-11-24-44(38)57-45)47-42-29-33-27-31-15-4-5-16-32(31)28-41(33)34-17-6-7-19-36(34)46(42)47/h1-28,42,46-47H,29H2/t42-,46?,47?/m0/s1
InChIKeyUPNAMACXQAGVPE-LFGPVRRWSA-N
MW743.87 g/mol
LogP13.54
Rot. Bonds4

About 2-dibenzofuran-4-yl-4-[2-[(10S)-9-pentacyclo[10.8.0.02,7.08,10.014,19]icosa-1(20),2,4,6,12,14,16,18-octaenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine

2-dibenzofuran-4-yl-4-[2-[(10S)-9-pentacyclo[10.8.0.02,7.08,10.014,19]icosa-1(20),2,4,6,12,14,16,18-octaenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine (PubChem CID 166699484) has the molecular formula C53H33N3O2 and a molecular weight of 743.87 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[2-[(10S)-9-pentacyclo[10.8.0.02,7.08,10.014,19]icosa-1(20),2,4,6,12,14,16,18-octaenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-[2-[(10S)-9-pentacyclo[10.8.0.02,7.08,10.014,19]icosa-1(20),2,4,6,12,14,16,18-octaenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
PubChem CID166699484
Molecular FormulaC53H33N3O2
Molecular Weight743.87 g/mol
Exact Mass743.26
IUPAC Name2-dibenzofuran-4-yl-4-[2-[(10S)-9-pentacyclo[10.8.0.02,7.08,10.014,19]icosa-1(20),2,4,6,12,14,16,18-octaenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3c(C4C5c6ccccc6-c6cc7ccccc7cc6C[C@@H]54)ccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C53H33N3O2/c1-2-13-30(14-3-1)51-54-52(40-22-12-21-37-35-18-8-10-23-43(35)58-50(37)40)56-53(55-51)49-39(25-26-45-48(49)38-20-9-11-24-44(38)57-45)47-42-29-33-27-31-15-4-5-16-32(31)28-41(33)34-17-6-7-19-36(34)46(42)47/h1-28,42,46-47H,29H2/t42-,46?,47?/m0/s1
InChIKeyUPNAMACXQAGVPE-LFGPVRRWSA-N
XLogP13.54
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.87
LogP ≤ 513.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-dibenzofuran-4-yl-4-[2-[(10S)-9-pentacyclo[10.8.0.02,7.08,10.014,19]icosa-1(20),2,4,6,12,14,16,18-octaenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-phenyl-4-(3-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 167043649
2-dibenzofuran-4-yl-4-[7-(2-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 166741418
2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 167042969
2-dibenzofuran-1-yl-4-phenyl-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 166699923
2-dibenzofuran-4-yl-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 139441678
19-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-9-oxa-15-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,16(21),17,19-nonaene
CID 164940146
2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(2-phenylnaphthalen-1-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139441852
23-[1-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 163466121
2,4-bis(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-bis(4-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-1-yl)-6-dibenzofuran-4-yl-1,3,5-triazine
CID 165081213
2-dibenzofuran-4-yl-4-phenyl-6-[3-[2-(3-phenylphenyl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 139441843
2-(3-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine
CID 135143486
2-dibenzofuran-4-yl-4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155077824

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-[2-[(10S)-9-pentacyclo[10.8.0.02,7.08,10.014,19]icosa-1(20),2,4,6,12,14,16,18-octaenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-[2-[(10S)-9-pentacyclo[10.8.0.02,7.08,10.014,19]icosa-1(20),2,4,6,12,14,16,18-octaenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine (CID 166699484) is 2-dibenzofuran-4-yl-4-[2-[(10S)-9-pentacyclo[10.8.0.02,7.08,10.014,19]icosa-1(20),2,4,6,12,14,16,18-octaenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-[2-[(10S)-9-pentacyclo[10.8.0.02,7.08,10.014,19]icosa-1(20),2,4,6,12,14,16,18-octaenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-[2-[(10S)-9-pentacyclo[10.8.0.02,7.08,10.014,19]icosa-1(20),2,4,6,12,14,16,18-octaenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3cccc4c3oc3ccccc34)nc(-c3c(C4C5c6ccccc6-c6cc7ccccc7cc6C[C@@H]54)ccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-[2-[(10S)-9-pentacyclo[10.8.0.02,7.08,10.014,19]icosa-1(20),2,4,6,12,14,16,18-octaenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is UPNAMACXQAGVPE-LFGPVRRWSA-N. The full InChI is InChI=1S/C53H33N3O2/c1-2-13-30(14-3-1)51-54-52(40-22-12-21-37-35-18-8-10-23-43(35)58-50(37)40)56-53(55-51)49-39(25-26-45-48(49)38-20-9-11-24-44(38)57-45)47-42-29-33-27-31-15-4-5-16-32(31)28-41(33)34-17-6-7-19-36(34)46(42)47/h1-28,42,46-47H,29H2/t42-,46?,47?/m0/s1.
What are the key properties of 2-dibenzofuran-4-yl-4-[2-[(10S)-9-pentacyclo[10.8.0.02,7.08,10.014,19]icosa-1(20),2,4,6,12,14,16,18-octaenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-4-yl-4-[2-[(10S)-9-pentacyclo[10.8.0.02,7.08,10.014,19]icosa-1(20),2,4,6,12,14,16,18-octaenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 743.87 g/mol, XLogP of 13.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-[2-[(10S)-9-pentacyclo[10.8.0.02,7.08,10.014,19]icosa-1(20),2,4,6,12,14,16,18-octaenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 166699484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).