2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[4-(12-pentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaenyl)dibenzofuran-2-yl]-1,3,5-triazine

C60H37N3O2 — CID 166699689

IUPAC2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[4-(12-pentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaenyl)dibenzofuran-2-yl]-1,3,5-triazine
SMILESc1ccc2cc3c(cc2c1)CCC(c1cc(-c2nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5ccccc45)n2)cc2c1oc1ccccc12)c1cc2ccccc2cc1-3
InChIInChI=1S/C60H37N3O2/c1-2-14-37-29-49-40(28-36(37)13-1)24-26-44(50-30-38-15-3-4-16-39(38)31-51(49)50)52-32-42(33-53-46-20-8-10-23-55(46)65-57(52)53)59-61-58(41-25-27-47-45-19-7-9-22-54(45)64-56(47)34-41)62-60(63-59)48-21-11-17-35-12-5-6-18-43(35)48/h1-23,25,27-34,44H,24,26H2
InChIKeyZTCHBSHQMSRNLP-UHFFFAOYSA-N
MW831.98 g/mol
LogP15.88
Rot. Bonds4

About 2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[4-(12-pentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaenyl)dibenzofuran-2-yl]-1,3,5-triazine

2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[4-(12-pentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaenyl)dibenzofuran-2-yl]-1,3,5-triazine (PubChem CID 166699689) has the molecular formula C60H37N3O2 and a molecular weight of 831.98 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[4-(12-pentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaenyl)dibenzofuran-2-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[4-(12-pentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaenyl)dibenzofuran-2-yl]-1,3,5-triazine
PubChem CID166699689
Molecular FormulaC60H37N3O2
Molecular Weight831.98 g/mol
Exact Mass831.29
IUPAC Name2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[4-(12-pentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaenyl)dibenzofuran-2-yl]-1,3,5-triazine
SMILESc1ccc2cc3c(cc2c1)CCC(c1cc(-c2nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5ccccc45)n2)cc2c1oc1ccccc12)c1cc2ccccc2cc1-3
InChIInChI=1S/C60H37N3O2/c1-2-14-37-29-49-40(28-36(37)13-1)24-26-44(50-30-38-15-3-4-16-39(38)31-51(49)50)52-32-42(33-53-46-20-8-10-23-55(46)65-57(52)53)59-61-58(41-25-27-47-45-19-7-9-22-54(45)64-56(47)34-41)62-60(63-59)48-21-11-17-35-12-5-6-18-43(35)48/h1-23,25,27-34,44H,24,26H2
InChIKeyZTCHBSHQMSRNLP-UHFFFAOYSA-N
XLogP15.88
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.98
LogP ≤ 515.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[4-(12-pentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaenyl)dibenzofuran-2-yl]-1,3,5-triazine with MolForge

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Related Compounds

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-dibenzothiophen-3-yl-4-naphthalen-1-yl-6-[3-(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 166700130
9-[4-dibenzofuran-3-yl-6-[4-(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-triazin-2-yl]carbazole
CID 166699724
2-naphthalen-1-yl-4-phenanthren-9-yl-6-[3-(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 167043273
2-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-6-[7-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)naphtho[1,2-b][1]benzofuran-9-yl]-1,3,5-triazine
CID 167043386
2,4-di(phenanthren-9-yl)-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 166699645
2-naphthalen-2-yl-4-phenyl-6-[4-(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 167043634
2-[4-(6,7-dihydropentaphen-6-ylmethyl)dibenzofuran-2-yl]-4-naphthalen-1-yl-6-phenanthren-9-yl-1,3,5-triazine
CID 167044022
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-naphthalen-2-yl-4-phenanthren-2-yl-6-[1-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 155042565
2,4-dinaphthalen-1-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)-1,3,5-triazine
CID 176817695
2-dibenzothiophen-4-yl-4-(4-phenylphenyl)-6-[1-(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 166699873

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[4-(12-pentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaenyl)dibenzofuran-2-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[4-(12-pentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaenyl)dibenzofuran-2-yl]-1,3,5-triazine (CID 166699689) is 2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[4-(12-pentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaenyl)dibenzofuran-2-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[4-(12-pentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaenyl)dibenzofuran-2-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[4-(12-pentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaenyl)dibenzofuran-2-yl]-1,3,5-triazine is c1ccc2cc3c(cc2c1)CCC(c1cc(-c2nc(-c4ccc5c(c4)oc4ccccc45)nc(-c4cccc5ccccc45)n2)cc2c1oc1ccccc12)c1cc2ccccc2cc1-3.
What is the InChIKey of 2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[4-(12-pentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaenyl)dibenzofuran-2-yl]-1,3,5-triazine?
The InChIKey is ZTCHBSHQMSRNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N3O2/c1-2-14-37-29-49-40(28-36(37)13-1)24-26-44(50-30-38-15-3-4-16-39(38)31-51(49)50)52-32-42(33-53-46-20-8-10-23-55(46)65-57(52)53)59-61-58(41-25-27-47-45-19-7-9-22-54(45)64-56(47)34-41)62-60(63-59)48-21-11-17-35-12-5-6-18-43(35)48/h1-23,25,27-34,44H,24,26H2.
What are the key properties of 2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[4-(12-pentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaenyl)dibenzofuran-2-yl]-1,3,5-triazine?
2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[4-(12-pentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaenyl)dibenzofuran-2-yl]-1,3,5-triazine has a molecular weight of 831.98 g/mol, XLogP of 15.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-4-naphthalen-1-yl-6-[4-(12-pentacyclo[13.8.0.02,11.04,9.017,22]tricosa-1(23),2,4,6,8,10,15,17,19,21-decaenyl)dibenzofuran-2-yl]-1,3,5-triazine is sourced from PubChem (CID 166699689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).