2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[4-[8-(3-phenylphenyl)dibenzofuran-4-yl]naphthalen-1-yl]-1,3,5-triazine

C68H43N3O — CID 174361695

IUPAC2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[4-[8-(3-phenylphenyl)dibenzofuran-4-yl]naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc4oc5c(-c6ccc(-c7nc(-c8ccccc8)nc(-c8cccc(C9(c%10ccccc%10)c%10ccccc%10-c%10ccccc%109)c8)n7)c7ccccc67)cccc5c4c3)c2)cc1
InChIInChI=1S/C68H43N3O/c1-4-19-44(20-5-1)46-23-16-24-47(41-46)48-37-40-63-60(43-48)58-34-18-33-57(64(58)72-63)54-38-39-59(53-30-11-10-29-52(53)54)67-70-65(45-21-6-2-7-22-45)69-66(71-67)49-25-17-28-51(42-49)68(50-26-8-3-9-27-50)61-35-14-12-31-55(61)56-32-13-15-36-62(56)68/h1-43H
InChIKeyLILDWQIIAVKZEL-UHFFFAOYSA-N
MW918.11 g/mol
LogP17.29
Rot. Bonds8

About 2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[4-[8-(3-phenylphenyl)dibenzofuran-4-yl]naphthalen-1-yl]-1,3,5-triazine

2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[4-[8-(3-phenylphenyl)dibenzofuran-4-yl]naphthalen-1-yl]-1,3,5-triazine (PubChem CID 174361695) has the molecular formula C68H43N3O and a molecular weight of 918.11 g/mol. Its IUPAC name is 2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[4-[8-(3-phenylphenyl)dibenzofuran-4-yl]naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[4-[8-(3-phenylphenyl)dibenzofuran-4-yl]naphthalen-1-yl]-1,3,5-triazine
PubChem CID174361695
Molecular FormulaC68H43N3O
Molecular Weight918.11 g/mol
Exact Mass917.34
IUPAC Name2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[4-[8-(3-phenylphenyl)dibenzofuran-4-yl]naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3ccc4oc5c(-c6ccc(-c7nc(-c8ccccc8)nc(-c8cccc(C9(c%10ccccc%10)c%10ccccc%10-c%10ccccc%109)c8)n7)c7ccccc67)cccc5c4c3)c2)cc1
InChIInChI=1S/C68H43N3O/c1-4-19-44(20-5-1)46-23-16-24-47(41-46)48-37-40-63-60(43-48)58-34-18-33-57(64(58)72-63)54-38-39-59(53-30-11-10-29-52(53)54)67-70-65(45-21-6-2-7-22-45)69-66(71-67)49-25-17-28-51(42-49)68(50-26-8-3-9-27-50)61-35-14-12-31-55(61)56-32-13-15-36-62(56)68/h1-43H
InChIKeyLILDWQIIAVKZEL-UHFFFAOYSA-N
XLogP17.29
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500918.11
LogP ≤ 517.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-[6-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]-1,3,5-triazine
CID 162487314
2-dibenzofuran-4-yl-4-[3-(9,9-diphenylfluoren-2-yl)-5-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 164799713
2-phenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 162487492
2-[3-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160588637
2-dibenzofuran-1-yl-4-[8-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 146651227
2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160204
2-(3-dibenzofuran-4-ylphenyl)-4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)pyrimidine
CID 171602818
2-dibenzofuran-4-yl-4-phenyl-6-[9-(3-phenylphenyl)fluoren-9-yl]-1,3,5-triazine
CID 164821314
2-(6,8-diphenyldibenzofuran-4-yl)-4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 174361627
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-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 130375020
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-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[4-[8-(3-phenylphenyl)dibenzofuran-4-yl]naphthalen-1-yl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[4-[8-(3-phenylphenyl)dibenzofuran-4-yl]naphthalen-1-yl]-1,3,5-triazine (CID 174361695) is 2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[4-[8-(3-phenylphenyl)dibenzofuran-4-yl]naphthalen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[4-[8-(3-phenylphenyl)dibenzofuran-4-yl]naphthalen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[4-[8-(3-phenylphenyl)dibenzofuran-4-yl]naphthalen-1-yl]-1,3,5-triazine is c1ccc(-c2cccc(-c3ccc4oc5c(-c6ccc(-c7nc(-c8ccccc8)nc(-c8cccc(C9(c%10ccccc%10)c%10ccccc%10-c%10ccccc%109)c8)n7)c7ccccc67)cccc5c4c3)c2)cc1.
What is the InChIKey of 2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[4-[8-(3-phenylphenyl)dibenzofuran-4-yl]naphthalen-1-yl]-1,3,5-triazine?
The InChIKey is LILDWQIIAVKZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H43N3O/c1-4-19-44(20-5-1)46-23-16-24-47(41-46)48-37-40-63-60(43-48)58-34-18-33-57(64(58)72-63)54-38-39-59(53-30-11-10-29-52(53)54)67-70-65(45-21-6-2-7-22-45)69-66(71-67)49-25-17-28-51(42-49)68(50-26-8-3-9-27-50)61-35-14-12-31-55(61)56-32-13-15-36-62(56)68/h1-43H.
What are the key properties of 2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[4-[8-(3-phenylphenyl)dibenzofuran-4-yl]naphthalen-1-yl]-1,3,5-triazine?
2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[4-[8-(3-phenylphenyl)dibenzofuran-4-yl]naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 918.11 g/mol, XLogP of 17.29, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-[4-[8-(3-phenylphenyl)dibenzofuran-4-yl]naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 174361695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).