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

C58H36N4O — CID 166650803

IUPAC2-phenyl-9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)-c6ccccc6C76c7ccccc7Oc7ccccc76)n5)cc4)c3c2)cc1
InChIInChI=1S/C58H36N4O/c1-3-15-37(16-4-1)40-29-33-45-44-20-8-12-24-51(44)62(52(45)36-40)42-31-27-39(28-32-42)56-59-55(38-17-5-2-6-18-38)60-57(61-56)41-30-34-48-46(35-41)43-19-7-9-21-47(43)58(48)49-22-10-13-25-53(49)63-54-26-14-11-23-50(54)58/h1-36H
InChIKeyKZOMANUBNBZLMO-UHFFFAOYSA-N
MW804.95 g/mol
LogP14.11
Rot. Bonds5

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

2-phenyl-9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 166650803) has the molecular formula C58H36N4O and a molecular weight of 804.95 g/mol. Its IUPAC name is 2-phenyl-9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name2-phenyl-9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole
PubChem CID166650803
Molecular FormulaC58H36N4O
Molecular Weight804.95 g/mol
Exact Mass804.29
IUPAC Name2-phenyl-9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole
SMILESc1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)-c6ccccc6C76c7ccccc7Oc7ccccc76)n5)cc4)c3c2)cc1
InChIInChI=1S/C58H36N4O/c1-3-15-37(16-4-1)40-29-33-45-44-20-8-12-24-51(44)62(52(45)36-40)42-31-27-39(28-32-42)56-59-55(38-17-5-2-6-18-38)60-57(61-56)41-30-34-48-46(35-41)43-19-7-9-21-47(43)58(48)49-22-10-13-25-53(49)63-54-26-14-11-23-50(54)58/h1-36H
InChIKeyKZOMANUBNBZLMO-UHFFFAOYSA-N
XLogP14.11
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.95
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288850
9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139306362
9-phenyl-2-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 149374093
9-phenyl-2-[4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 155278950
9-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 137388498
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 156559689
12-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 156559750
2,4-diphenyl-6-[6-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine
CID 154596947
methane;9-phenyl-1-[4-phenyl-6-[7-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazin-2-yl]carbazole;9-phenyl-2-[4-phenyl-6-[6-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazin-2-yl]carbazole;9-phenyl-3-[4-phenyl-6-[6-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazin-2-yl]carbazole;9-phenyl-4-[4-phenyl-6-[7-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazin-2-yl]carbazole
CID 159442688
5-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288373
7-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 166737834
1-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-5,7-diphenylindolo[2,3-b]carbazole;2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-4-yl]-5,7-diphenylindolo[2,3-b]carbazole;3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5,7-diphenylindolo[2,3-b]carbazole;12-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-5,7-diphenylindolo[2,3-b]carbazole
CID 158850829

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
The IUPAC name of 2-phenyl-9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 166650803) is 2-phenyl-9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole.
What is the SMILES notation for 2-phenyl-9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
The canonical SMILES for 2-phenyl-9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole is c1ccc(-c2ccc3c4ccccc4n(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccc7c(c6)-c6ccccc6C76c7ccccc7Oc7ccccc76)n5)cc4)c3c2)cc1.
What is the InChIKey of 2-phenyl-9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
The InChIKey is KZOMANUBNBZLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4O/c1-3-15-37(16-4-1)40-29-33-45-44-20-8-12-24-51(44)62(52(45)36-40)42-31-27-39(28-32-42)56-59-55(38-17-5-2-6-18-38)60-57(61-56)41-30-34-48-46(35-41)43-19-7-9-21-47(43)58(48)49-22-10-13-25-53(49)63-54-26-14-11-23-50(54)58/h1-36H.
What are the key properties of 2-phenyl-9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole?
2-phenyl-9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 804.95 g/mol, XLogP of 14.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 166650803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).