6-[9-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole

C59H36N4O2 — CID 146582063

IUPAC6-[9-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(C5(c6ccc7nc(-c8ccccc8)oc7c6)c6ccccc6-c6ccccc65)cc4)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C59H36N4O2/c1-3-13-39(14-4-1)55-61-56(63-57(62-55)42-29-33-48-47-19-9-12-22-52(47)64-53(48)35-42)40-25-23-37(24-26-40)38-27-30-43(31-28-38)59(49-20-10-7-17-45(49)46-18-8-11-21-50(46)59)44-32-34-51-54(36-44)65-58(60-51)41-15-5-2-6-16-41/h1-36H
InChIKeyANCXFOPNFPQEPT-UHFFFAOYSA-N
MW832.96 g/mol
LogP14.61
Rot. Bonds7

About 6-[9-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole

6-[9-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole (PubChem CID 146582063) has the molecular formula C59H36N4O2 and a molecular weight of 832.96 g/mol. Its IUPAC name is 6-[9-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-[9-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole
PubChem CID146582063
Molecular FormulaC59H36N4O2
Molecular Weight832.96 g/mol
Exact Mass832.28
IUPAC Name6-[9-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(C5(c6ccc7nc(-c8ccccc8)oc7c6)c6ccccc6-c6ccccc65)cc4)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C59H36N4O2/c1-3-13-39(14-4-1)55-61-56(63-57(62-55)42-29-33-48-47-19-9-12-22-52(47)64-53(48)35-42)40-25-23-37(24-26-40)38-27-30-43(31-28-38)59(49-20-10-7-17-45(49)46-18-8-11-21-50(46)59)44-32-34-51-54(36-44)65-58(60-51)41-15-5-2-6-16-41/h1-36H
InChIKeyANCXFOPNFPQEPT-UHFFFAOYSA-N
XLogP14.61
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.96
LogP ≤ 514.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole
CID 146582036
6-[9-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole
CID 146581619
2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146581865
2-[3-[4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581940
2-phenyl-6-[9-[4-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]fluoren-9-yl]-1,3-benzoxazole
CID 146581854
2-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581949
2-phenyl-6-(9-phenylfluoren-9-yl)-1,3-benzoxazole
CID 146581616
2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146581933
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-phenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 162487492
6-[9-[4-[4-(4-naphthalen-2-ylphenyl)quinazolin-2-yl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole
CID 147892572

Frequently Asked Questions

What is the IUPAC name of 6-[9-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole?
The IUPAC name of 6-[9-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole (CID 146582063) is 6-[9-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 6-[9-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 6-[9-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole is c1ccc(-c2nc(-c3ccc(-c4ccc(C5(c6ccc7nc(-c8ccccc8)oc7c6)c6ccccc6-c6ccccc65)cc4)cc3)nc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 6-[9-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole?
The InChIKey is ANCXFOPNFPQEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4O2/c1-3-13-39(14-4-1)55-61-56(63-57(62-55)42-29-33-48-47-19-9-12-22-52(47)64-53(48)35-42)40-25-23-37(24-26-40)38-27-30-43(31-28-38)59(49-20-10-7-17-45(49)46-18-8-11-21-50(46)59)44-32-34-51-54(36-44)65-58(60-51)41-15-5-2-6-16-41/h1-36H.
What are the key properties of 6-[9-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole?
6-[9-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole has a molecular weight of 832.96 g/mol, XLogP of 14.61, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[9-[4-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]fluoren-9-yl]-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 146582063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).