2-[3-[3-[9-dibenzofuran-2-yl-2-(9,10-dihydrophenanthren-9-yl)dibenzofuran-1-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

C65H41N3O2 — CID 174364677

IUPAC2-[3-[3-[9-dibenzofuran-2-yl-2-(9,10-dihydrophenanthren-9-yl)dibenzofuran-1-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5c(C6Cc7ccccc7-c7ccccc76)ccc6oc7cccc(-c8ccc9oc%10ccccc%10c9c8)c7c56)c4)c3)n2)cc1
InChIInChI=1S/C65H41N3O2/c1-3-16-40(17-4-1)63-66-64(41-18-5-2-6-19-41)68-65(67-63)47-24-14-22-43(37-47)42-21-13-23-46(36-42)60-53(54-38-44-20-7-8-25-48(44)50-26-9-10-27-51(50)54)33-35-59-62(60)61-49(29-15-31-58(61)70-59)45-32-34-57-55(39-45)52-28-11-12-30-56(52)69-57/h1-37,39,54H,38H2
InChIKeyMJCYTHDRWWIZEM-UHFFFAOYSA-N
MW896.06 g/mol
LogP17.03
Rot. Bonds7

About 2-[3-[3-[9-dibenzofuran-2-yl-2-(9,10-dihydrophenanthren-9-yl)dibenzofuran-1-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine

2-[3-[3-[9-dibenzofuran-2-yl-2-(9,10-dihydrophenanthren-9-yl)dibenzofuran-1-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 174364677) has the molecular formula C65H41N3O2 and a molecular weight of 896.06 g/mol. Its IUPAC name is 2-[3-[3-[9-dibenzofuran-2-yl-2-(9,10-dihydrophenanthren-9-yl)dibenzofuran-1-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[3-[3-[9-dibenzofuran-2-yl-2-(9,10-dihydrophenanthren-9-yl)dibenzofuran-1-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID174364677
Molecular FormulaC65H41N3O2
Molecular Weight896.06 g/mol
Exact Mass895.32
IUPAC Name2-[3-[3-[9-dibenzofuran-2-yl-2-(9,10-dihydrophenanthren-9-yl)dibenzofuran-1-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5c(C6Cc7ccccc7-c7ccccc76)ccc6oc7cccc(-c8ccc9oc%10ccccc%10c9c8)c7c56)c4)c3)n2)cc1
InChIInChI=1S/C65H41N3O2/c1-3-16-40(17-4-1)63-66-64(41-18-5-2-6-19-41)68-65(67-63)47-24-14-22-43(37-47)42-21-13-23-46(36-42)60-53(54-38-44-20-7-8-25-48(44)50-26-9-10-27-51(50)54)33-35-59-62(60)61-49(29-15-31-58(61)70-59)45-32-34-57-55(39-45)52-28-11-12-30-56(52)69-57/h1-37,39,54H,38H2
InChIKeyMJCYTHDRWWIZEM-UHFFFAOYSA-N
XLogP17.03
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500896.06
LogP ≤ 517.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-[3-[9-dibenzofuran-2-yl-2-(9,10-dihydrophenanthren-9-yl)dibenzofuran-1-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(3-dibenzofuran-1-ylphenyl)-4-(3-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304365
2-[8-(3-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597252
2-dibenzofuran-2-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134199357
2-[4-[4-[3-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4-[3-(8-dibenzofuran-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 170010934
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-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155077854
2-dibenzofuran-2-yl-4-[3-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 140946390
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915
2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247
2-dibenzofuran-2-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304573
2-(3-dibenzofuran-1-ylphenyl)-4-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 139303458

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[9-dibenzofuran-2-yl-2-(9,10-dihydrophenanthren-9-yl)dibenzofuran-1-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[3-[3-[9-dibenzofuran-2-yl-2-(9,10-dihydrophenanthren-9-yl)dibenzofuran-1-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 174364677) is 2-[3-[3-[9-dibenzofuran-2-yl-2-(9,10-dihydrophenanthren-9-yl)dibenzofuran-1-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[3-[3-[9-dibenzofuran-2-yl-2-(9,10-dihydrophenanthren-9-yl)dibenzofuran-1-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[3-[3-[9-dibenzofuran-2-yl-2-(9,10-dihydrophenanthren-9-yl)dibenzofuran-1-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5c(C6Cc7ccccc7-c7ccccc76)ccc6oc7cccc(-c8ccc9oc%10ccccc%10c9c8)c7c56)c4)c3)n2)cc1.
What is the InChIKey of 2-[3-[3-[9-dibenzofuran-2-yl-2-(9,10-dihydrophenanthren-9-yl)dibenzofuran-1-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is MJCYTHDRWWIZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41N3O2/c1-3-16-40(17-4-1)63-66-64(41-18-5-2-6-19-41)68-65(67-63)47-24-14-22-43(37-47)42-21-13-23-46(36-42)60-53(54-38-44-20-7-8-25-48(44)50-26-9-10-27-51(50)54)33-35-59-62(60)61-49(29-15-31-58(61)70-59)45-32-34-57-55(39-45)52-28-11-12-30-56(52)69-57/h1-37,39,54H,38H2.
What are the key properties of 2-[3-[3-[9-dibenzofuran-2-yl-2-(9,10-dihydrophenanthren-9-yl)dibenzofuran-1-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[3-[3-[9-dibenzofuran-2-yl-2-(9,10-dihydrophenanthren-9-yl)dibenzofuran-1-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 896.06 g/mol, XLogP of 17.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[9-dibenzofuran-2-yl-2-(9,10-dihydrophenanthren-9-yl)dibenzofuran-1-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 174364677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).