2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine

C58H35N3O2 — CID 174361088

IUPAC2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc3oc4cccc(-c5nc(-c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)nc(-c6ccc7c(c6)oc6ccccc67)n5)c4c23)cc1
InChIInChI=1S/C58H35N3O2/c1-3-16-36(17-4-1)41-25-14-30-50-53(41)54-46(26-15-31-51(54)63-50)57-60-55(59-56(61-57)38-32-33-45-44-24-9-12-29-49(44)62-52(45)35-38)37-18-13-21-40(34-37)58(39-19-5-2-6-20-39)47-27-10-7-22-42(47)43-23-8-11-28-48(43)58/h1-35H
InChIKeyGPTOFJAKXWFXNH-UHFFFAOYSA-N
MW805.94 g/mol
LogP14.70
Rot. Bonds6

About 2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine

2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine (PubChem CID 174361088) has the molecular formula C58H35N3O2 and a molecular weight of 805.94 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
PubChem CID174361088
Molecular FormulaC58H35N3O2
Molecular Weight805.94 g/mol
Exact Mass805.27
IUPAC Name2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc3oc4cccc(-c5nc(-c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)nc(-c6ccc7c(c6)oc6ccccc67)n5)c4c23)cc1
InChIInChI=1S/C58H35N3O2/c1-3-16-36(17-4-1)41-25-14-30-50-53(41)54-46(26-15-31-51(54)63-50)57-60-55(59-56(61-57)38-32-33-45-44-24-9-12-29-49(44)62-52(45)35-38)37-18-13-21-40(34-37)58(39-19-5-2-6-20-39)47-27-10-7-22-42(47)43-23-8-11-28-48(43)58/h1-35H
InChIKeyGPTOFJAKXWFXNH-UHFFFAOYSA-N
XLogP14.70
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.94
LogP ≤ 514.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146581933
2-phenyl-4-[8-(8-phenyldibenzofuran-3-yl)dibenzofuran-1-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 174361924
2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine
CID 146648582
2-dibenzofuran-3-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
CID 164821113
2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146581682
2-(9,9-diphenylfluoren-3-yl)-4-(9-phenyldibenzofuran-3-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 170680887
2-[3-[4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581940
2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146581865
2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146367670
2-dibenzofuran-3-yl-4-dibenzofuran-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 167349495
2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[3-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 174361020
2-dibenzofuran-2-yl-4-[2-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[3-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 158099516

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine (CID 174361088) is 2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine is c1ccc(-c2cccc3oc4cccc(-c5nc(-c6cccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)c6)nc(-c6ccc7c(c6)oc6ccccc67)n5)c4c23)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?
The InChIKey is GPTOFJAKXWFXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N3O2/c1-3-16-36(17-4-1)41-25-14-30-50-53(41)54-46(26-15-31-51(54)63-50)57-60-55(59-56(61-57)38-32-33-45-44-24-9-12-29-49(44)62-52(45)35-38)37-18-13-21-40(34-37)58(39-19-5-2-6-20-39)47-27-10-7-22-42(47)43-23-8-11-28-48(43)58/h1-35H.
What are the key properties of 2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine?
2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine has a molecular weight of 805.94 g/mol, XLogP of 14.70, 6 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-(9-phenyldibenzofuran-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 174361088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).