2-[6-[4-[4-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]phenyl]-9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1,3-benzoxazole

C99H58N8O4 — CID 163899943

IUPAC2-[6-[4-[4-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]phenyl]-9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(C6(c7ccccc7)c7ccccc7-c7c(-c8nc(-c9ccccc9)nc(-c9cccc%10oc%11ccc(-c%12nc%13ccccc%13o%12)cc%11c9%10)n8)cccc76)cc5)c5oc6ccc(-c7nc8ccccc8o7)cc6c45)n3)c2)cc1
InChIInChI=1S/C99H58N8O4/c1-6-24-59(25-7-1)66-54-67(60-26-8-2-9-27-60)56-68(55-66)93-102-91(62-28-10-3-11-29-62)103-96(106-93)75-51-50-71(90-89(75)77-58-65(47-53-83(77)109-90)98-101-81-40-19-21-42-85(81)111-98)61-44-48-70(49-45-61)99(69-32-14-5-15-33-69)78-37-17-16-34-72(78)87-73(35-22-38-79(87)99)94-104-92(63-30-12-4-13-31-63)105-95(107-94)74-36-23-43-86-88(74)76-57-64(46-52-82(76)108-86)97-100-80-39-18-20-41-84(80)110-97/h1-58H
InChIKeyQIXVGZHJMVFQEU-UHFFFAOYSA-N
MW1423.60 g/mol
LogP24.84
Rot. Bonds13

About 2-[6-[4-[4-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]phenyl]-9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1,3-benzoxazole

2-[6-[4-[4-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]phenyl]-9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1,3-benzoxazole (PubChem CID 163899943) has the molecular formula C99H58N8O4 and a molecular weight of 1423.60 g/mol. Its IUPAC name is 2-[6-[4-[4-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]phenyl]-9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[6-[4-[4-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]phenyl]-9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1,3-benzoxazole
PubChem CID163899943
Molecular FormulaC99H58N8O4
Molecular Weight1423.60 g/mol
Exact Mass1422.46
IUPAC Name2-[6-[4-[4-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]phenyl]-9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(C6(c7ccccc7)c7ccccc7-c7c(-c8nc(-c9ccccc9)nc(-c9cccc%10oc%11ccc(-c%12nc%13ccccc%13o%12)cc%11c9%10)n8)cccc76)cc5)c5oc6ccc(-c7nc8ccccc8o7)cc6c45)n3)c2)cc1
InChIInChI=1S/C99H58N8O4/c1-6-24-59(25-7-1)66-54-67(60-26-8-2-9-27-60)56-68(55-66)93-102-91(62-28-10-3-11-29-62)103-96(106-93)75-51-50-71(90-89(75)77-58-65(47-53-83(77)109-90)98-101-81-40-19-21-42-85(81)111-98)61-44-48-70(49-45-61)99(69-32-14-5-15-33-69)78-37-17-16-34-72(78)87-73(35-22-38-79(87)99)94-104-92(63-30-12-4-13-31-63)105-95(107-94)74-36-23-43-86-88(74)76-57-64(46-52-82(76)108-86)97-100-80-39-18-20-41-84(80)110-97/h1-58H
InChIKeyQIXVGZHJMVFQEU-UHFFFAOYSA-N
XLogP24.84
TPSA155.68 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001423.60
LogP ≤ 524.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[6-[4-[4-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]phenyl]-9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1,3-benzoxazole with MolForge

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Related Compounds

2-[9-[4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-1,3-benzoxazole
CID 149367875
2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166002825
2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153368921
2-dibenzofuran-4-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369192
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-2-yl-4-(9,9-diphenylfluoren-4-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 126544530
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166003003
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002661
2-[8-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166002904
2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002837
2-[8-[11-(9,9-diphenylfluoren-4-yl)triphenylen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153369287
2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153368965

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-[4-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]phenyl]-9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-[6-[4-[4-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]phenyl]-9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1,3-benzoxazole (CID 163899943) is 2-[6-[4-[4-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]phenyl]-9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[6-[4-[4-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]phenyl]-9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[6-[4-[4-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]phenyl]-9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1,3-benzoxazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc(C6(c7ccccc7)c7ccccc7-c7c(-c8nc(-c9ccccc9)nc(-c9cccc%10oc%11ccc(-c%12nc%13ccccc%13o%12)cc%11c9%10)n8)cccc76)cc5)c5oc6ccc(-c7nc8ccccc8o7)cc6c45)n3)c2)cc1.
What is the InChIKey of 2-[6-[4-[4-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]phenyl]-9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1,3-benzoxazole?
The InChIKey is QIXVGZHJMVFQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C99H58N8O4/c1-6-24-59(25-7-1)66-54-67(60-26-8-2-9-27-60)56-68(55-66)93-102-91(62-28-10-3-11-29-62)103-96(106-93)75-51-50-71(90-89(75)77-58-65(47-53-83(77)109-90)98-101-81-40-19-21-42-85(81)111-98)61-44-48-70(49-45-61)99(69-32-14-5-15-33-69)78-37-17-16-34-72(78)87-73(35-22-38-79(87)99)94-104-92(63-30-12-4-13-31-63)105-95(107-94)74-36-23-43-86-88(74)76-57-64(46-52-82(76)108-86)97-100-80-39-18-20-41-84(80)110-97/h1-58H.
What are the key properties of 2-[6-[4-[4-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]phenyl]-9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1,3-benzoxazole?
2-[6-[4-[4-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]phenyl]-9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1,3-benzoxazole has a molecular weight of 1423.60 g/mol, XLogP of 24.84, 13 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-[4-[4-[8-(1,3-benzoxazol-2-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazin-2-yl]-9-phenylfluoren-9-yl]phenyl]-9-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 163899943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).