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

C58H34N4 — CID 122413287

IUPAC9-(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
SMILESc1ccc(-c2nc(-c3ccc4c(c3)-c3cc5c6ccccc6c6ccccc6c5cc3C43c4ccccc4-c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C58H34N4/c1-2-16-35(17-3-1)55-59-56(61-57(60-55)62-53-28-14-10-24-43(53)44-25-11-15-29-54(44)62)36-30-31-51-47(32-36)48-33-45-39-20-6-4-18-37(39)38-19-5-7-21-40(38)46(45)34-52(48)58(51)49-26-12-8-22-41(49)42-23-9-13-27-50(42)58/h1-34H
InChIKeyMPLAZNLCDODDET-UHFFFAOYSA-N
MW786.94 g/mol
LogP14.11
Rot. Bonds3

About 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

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 (PubChem CID 122413287) has the molecular formula C58H34N4 and a molecular weight of 786.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-(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
PubChem CID122413287
Molecular FormulaC58H34N4
Molecular Weight786.94 g/mol
Exact Mass786.28
IUPAC Name9-(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
SMILESc1ccc(-c2nc(-c3ccc4c(c3)-c3cc5c6ccccc6c6ccccc6c5cc3C43c4ccccc4-c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C58H34N4/c1-2-16-35(17-3-1)55-59-56(61-57(60-55)62-53-28-14-10-24-43(53)44-25-11-15-29-54(44)62)36-30-31-51-47(32-36)48-33-45-39-20-6-4-18-37(39)38-19-5-7-21-40(38)46(45)34-52(48)58(51)49-26-12-8-22-41(49)42-23-9-13-27-50(42)58/h1-34H
InChIKeyMPLAZNLCDODDET-UHFFFAOYSA-N
XLogP14.11
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.94
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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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-carbazol-9-yl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742543
11,11-bis(4-carbazol-9-ylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[1,2-b]carbazole
CID 87413796
12-[4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 169037543
9-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 88886986
2,4-diphenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine
CID 130261102
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
12-[4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazin-2-yl]-[1]benzothiolo[3,2-a]carbazole
CID 142355834
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
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccc4c(c3)-c3cc5c6ccccc6c6ccccc6c5cc3C43c4ccccc4-c4ccccc43)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 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?
The InChIKey is MPLAZNLCDODDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N4/c1-2-16-35(17-3-1)55-59-56(61-57(60-55)62-53-28-14-10-24-43(53)44-25-11-15-29-54(44)62)36-30-31-51-47(32-36)48-33-45-39-20-6-4-18-37(39)38-19-5-7-21-40(38)46(45)34-52(48)58(51)49-26-12-8-22-41(49)42-23-9-13-27-50(42)58/h1-34H.
What are the key properties of 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?
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 has a molecular weight of 786.94 g/mol, XLogP of 14.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122413287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).