9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylcarbazole

C58H34N4O — CID 153483775

IUPAC9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc6c5oc5cc7c(cc56)-c5ccccc5C75c6ccccc6-c6ccccc65)cc43)n2)cc1
InChIInChI=1S/C58H34N4O/c1-3-16-35(17-4-1)55-59-56(36-18-5-2-6-19-36)61-57(60-55)62-51-29-14-10-23-42(51)43-31-30-37(32-52(43)62)38-24-15-25-44-46-33-45-41-22-9-13-28-49(41)58(50(45)34-53(46)63-54(38)44)47-26-11-7-20-39(47)40-21-8-12-27-48(40)58/h1-34H
InChIKeyIZBOLXSYQXMLIN-UHFFFAOYSA-N
MW802.94 g/mol
LogP14.21
Rot. Bonds4

About 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylcarbazole

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylcarbazole (PubChem CID 153483775) has the molecular formula C58H34N4O and a molecular weight of 802.94 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylcarbazole.

Molecular Properties

Compound Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylcarbazole
PubChem CID153483775
Molecular FormulaC58H34N4O
Molecular Weight802.94 g/mol
Exact Mass802.27
IUPAC Name9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylcarbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc6c5oc5cc7c(cc56)-c5ccccc5C75c6ccccc6-c6ccccc65)cc43)n2)cc1
InChIInChI=1S/C58H34N4O/c1-3-16-35(17-4-1)55-59-56(36-18-5-2-6-19-36)61-57(60-55)62-51-29-14-10-23-42(51)43-31-30-37(32-52(43)62)38-24-15-25-44-46-33-45-41-22-9-13-28-49(41)58(50(45)34-53(46)63-54(38)44)47-26-11-7-20-39(47)40-21-8-12-27-48(40)58/h1-34H
InChIKeyIZBOLXSYQXMLIN-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

2,4-diphenyl-6-[6-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166952589
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
9-[4-(6-dibenzofuran-3-yldibenzofuran-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358310
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
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-(4-phenylphenyl)carbazole
CID 154601855
9-phenyl-2-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 165375461
9-[4-(7-naphthalen-1-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 166952775
2-dibenzofuran-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66797844
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
9-dibenzofuran-4-yl-7,7-dimethyl-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 130209455
9-[4-(6-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(6-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 164978383
[3-[4-(2-dibenzofuran-4-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 176837818

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylcarbazole?
The IUPAC name of 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) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylcarbazole.
What is the SMILES notation for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylcarbazole?
The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc(-c5cccc6c5oc5cc7c(cc56)-c5ccccc5C75c6ccccc6-c6ccccc65)cc43)n2)cc1.
What is the InChIKey of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylcarbazole?
The InChIKey is IZBOLXSYQXMLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N4O/c1-3-16-35(17-4-1)55-59-56(36-18-5-2-6-19-36)61-57(60-55)62-51-29-14-10-23-42(51)43-31-30-37(32-52(43)62)38-24-15-25-44-46-33-45-41-22-9-13-28-49(41)58(50(45)34-53(46)63-54(38)44)47-26-11-7-20-39(47)40-21-8-12-27-48(40)58/h1-34H.
What are the key properties of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylcarbazole?
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylcarbazole 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 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-4'-ylcarbazole is sourced from PubChem (CID 153483775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).