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

C58H34N4O — CID 169014332

IUPAC5'-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)nc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C53c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C58H34N4O/c1-3-16-35(17-4-1)38-24-15-29-52-54(38)43-31-30-37(32-53(43)63-52)56-59-55(36-18-5-2-6-19-36)60-57(61-56)62-50-28-14-10-23-42(50)45-33-49-44(34-51(45)62)41-22-9-13-27-48(41)58(49)46-25-11-7-20-39(46)40-21-8-12-26-47(40)58/h1-34H
InChIKeyHBPXSMVAPZNCDL-UHFFFAOYSA-N
MW802.94 g/mol
LogP14.21
Rot. Bonds4

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

5'-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole] (PubChem CID 169014332) has the molecular formula C58H34N4O and a molecular weight of 802.94 g/mol. Its IUPAC name is 5'-[4-phenyl-6-(9-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-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
PubChem CID169014332
Molecular FormulaC58H34N4O
Molecular Weight802.94 g/mol
Exact Mass802.27
IUPAC Name5'-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)nc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C53c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C58H34N4O/c1-3-16-35(17-4-1)38-24-15-29-52-54(38)43-31-30-37(32-53(43)63-52)56-59-55(36-18-5-2-6-19-36)60-57(61-56)62-50-28-14-10-23-42(50)45-33-49-44(34-51(45)62)41-22-9-13-27-48(41)58(49)46-25-11-7-20-39(46)40-21-8-12-26-47(40)58/h1-34H
InChIKeyHBPXSMVAPZNCDL-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

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-phenyl-6-(1-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]
CID 169015039
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
9-[4-(7-dibenzofuran-1-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358254
2-phenyl-9-[4-phenyl-6-[3-(7-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 167292938
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
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylcarbazole
CID 153483775
3-phenyl-9-[4-phenyl-6-[3-(7-phenyldibenzofuran-1-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 167293093
11,11-dimethyl-5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]indeno[1,2-b]carbazole
CID 146338085
9-[3-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146266717
5'-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 162362854
3-[4-(9,9-dimethylfluoren-3-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 170681246

Frequently Asked Questions

What is the IUPAC name of 5'-[4-phenyl-6-(9-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-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole] (CID 169014332) is 5'-[4-phenyl-6-(9-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-(9-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-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole] is c1ccc(-c2nc(-c3ccc4c(c3)oc3cccc(-c5ccccc5)c34)nc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C53c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 5'-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]?
The InChIKey is HBPXSMVAPZNCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N4O/c1-3-16-35(17-4-1)38-24-15-29-52-54(38)43-31-30-37(32-53(43)63-52)56-59-55(36-18-5-2-6-19-36)60-57(61-56)62-50-28-14-10-23-42(50)45-33-49-44(34-51(45)62)41-22-9-13-27-48(41)58(49)46-25-11-7-20-39(46)40-21-8-12-26-47(40)58/h1-34H.
What are the key properties of 5'-[4-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole]?
5'-[4-phenyl-6-(9-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-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,11'-indeno[1,2-b]carbazole] is sourced from PubChem (CID 169014332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).