5'-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]

C58H34N4O — CID 169015039

IUPAC5'-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
SMILESc1ccc(-c2nc(-c3cc(-c4ccccc4)c4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C53c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C58H34N4O/c1-3-17-35(18-4-1)43-31-37(32-53-54(43)42-25-11-16-30-52(42)63-53)56-59-55(36-19-5-2-6-20-36)60-57(61-56)62-50-29-15-10-24-41(50)45-33-49-44(34-51(45)62)40-23-9-14-28-48(40)58(49)46-26-12-7-21-38(46)39-22-8-13-27-47(39)58/h1-34H
InChIKeyFNXBMAJTFFWJLV-UHFFFAOYSA-N
MW802.94 g/mol
LogP14.21
Rot. Bonds4

About 5'-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]

5'-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole] (PubChem CID 169015039) has the molecular formula C58H34N4O and a molecular weight of 802.94 g/mol. Its IUPAC name is 5'-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole].

Molecular Properties

Compound Name5'-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
PubChem CID169015039
Molecular FormulaC58H34N4O
Molecular Weight802.94 g/mol
Exact Mass802.27
IUPAC Name5'-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
SMILESc1ccc(-c2nc(-c3cc(-c4ccccc4)c4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C53c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C58H34N4O/c1-3-17-35(18-4-1)43-31-37(32-53-54(43)42-25-11-16-30-52(42)63-53)56-59-55(36-19-5-2-6-20-36)60-57(61-56)62-50-29-15-10-24-41(50)45-33-49-44(34-51(45)62)40-23-9-14-28-48(40)58(49)46-26-12-7-21-38(46)39-22-8-13-27-47(39)58/h1-34H
InChIKeyFNXBMAJTFFWJLV-UHFFFAOYSA-N
XLogP14.21
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.94
LogP ≤ 514.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5'-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 169014332
7,7-dimethyl-5-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 169014370
11,11-dimethyl-5-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]indeno[1,2-b]carbazole
CID 169014548
5'-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 155159192
5'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 162362854
9-(4-phenyl-6-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]-19'-yl-1,3,5-triazin-2-yl)carbazole
CID 122413287
5'-[3-(4-carbazol-9-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 169014242
11,11-bis(4-carbazol-9-ylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[1,2-b]carbazole
CID 87413796
2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 155380232
5-[1-[4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-7-phenylindolo[2,3-b]carbazole
CID 163954156
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,25,25-triphenyl-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
CID 67472161
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 160515584

Frequently Asked Questions

What is the IUPAC name of 5'-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]?
The IUPAC name of 5'-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole] (CID 169015039) is 5'-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole].
What is the SMILES notation for 5'-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]?
The canonical SMILES for 5'-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole] is c1ccc(-c2nc(-c3cc(-c4ccccc4)c4c(c3)oc3ccccc34)nc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C53c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 5'-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]?
The InChIKey is FNXBMAJTFFWJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N4O/c1-3-17-35(18-4-1)43-31-37(32-53-54(43)42-25-11-16-30-52(42)63-53)56-59-55(36-19-5-2-6-20-36)60-57(61-56)62-50-29-15-10-24-41(50)45-33-49-44(34-51(45)62)40-23-9-14-28-48(40)58(49)46-26-12-7-21-38(46)39-22-8-13-27-47(39)58/h1-34H.
What are the key properties of 5'-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]?
5'-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole] has a molecular weight of 802.94 g/mol, XLogP of 14.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-[4-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole] is sourced from PubChem (CID 169015039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).