5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)carbazole

C58H36N4 — CID 118507817

IUPAC5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C58H36N4/c1-4-17-37(18-5-1)55-59-56(38-19-6-2-7-20-38)61-57(60-55)46-26-16-30-53-54(46)47-35-39(32-34-52(47)62(53)41-21-8-3-9-22-41)40-31-33-45-44-25-12-15-29-50(44)58(51(45)36-40)48-27-13-10-23-42(48)43-24-11-14-28-49(43)58/h1-36H
InChIKeyPIWFBFDACSWNRP-UHFFFAOYSA-N
MW788.95 g/mol
LogP13.98
Rot. Bonds5

About 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)carbazole

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)carbazole (PubChem CID 118507817) has the molecular formula C58H36N4 and a molecular weight of 788.95 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)carbazole.

Molecular Properties

Compound Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)carbazole
PubChem CID118507817
Molecular FormulaC58H36N4
Molecular Weight788.95 g/mol
Exact Mass788.29
IUPAC Name5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C58H36N4/c1-4-17-37(18-5-1)55-59-56(38-19-6-2-7-20-38)61-57(60-55)46-26-16-30-53-54(46)47-35-39(32-34-52(47)62(53)41-21-8-3-9-22-41)40-31-33-45-44-25-12-15-29-50(44)58(51(45)36-40)48-27-13-10-23-42(48)43-24-11-14-28-49(43)58/h1-36H
InChIKeyPIWFBFDACSWNRP-UHFFFAOYSA-N
XLogP13.98
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.95
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole
CID 145327538
5-[3-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265297
5-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-9-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 138725783
9-[2'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-9,9'-spirobi[fluorene]-2-yl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-[7'-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-9-yl]-9,9'-spirobi[fluorene]-2'-yl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 159219781
9-phenyl-2-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 149374093
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-(9-phenylfluoren-9-yl)-9-(3-phenylphenyl)carbazole
CID 162487538
3-(9,9-dimethylfluoren-2-yl)-5-(2,6-diphenylpyrimidin-4-yl)-9-phenylcarbazole
CID 145327908
2'-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 90335732
9-phenyl-3-(4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazin-2-yl)carbazole;9-phenyl-3-(4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-yl-1,3,5-triazin-2-yl)carbazole;9-phenyl-3-(4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-yl-1,3,5-triazin-2-yl)carbazole
CID 161476615
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)carbazole
CID 154602166
5-(4-buta-1,3-dien-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 155009258
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)carbazole?
The IUPAC name of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)carbazole (CID 118507817) is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)carbazole.
What is the SMILES notation for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)carbazole?
The canonical SMILES for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3c3cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)carbazole?
The InChIKey is PIWFBFDACSWNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4/c1-4-17-37(18-5-1)55-59-56(38-19-6-2-7-20-38)61-57(60-55)46-26-16-30-53-54(46)47-35-39(32-34-52(47)62(53)41-21-8-3-9-22-41)40-31-33-45-44-25-12-15-29-50(44)58(51(45)36-40)48-27-13-10-23-42(48)43-24-11-14-28-49(43)58/h1-36H.
What are the key properties of 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)carbazole?
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)carbazole has a molecular weight of 788.95 g/mol, XLogP of 13.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-3-(9,9'-spirobi[fluorene]-2-yl)carbazole is sourced from PubChem (CID 118507817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).