3-[1-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl)phenyl]carbazole

C104H62N6O2 — CID 166650958

IUPAC3-[1-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)C6(c8ccccc8O7)c7ccccc7-c7cccc(-c8nc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)nc9ccccc89)c76)ccc54)cc3)cc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)n2)cc1
InChIInChI=1S/C104H62N6O2/c1-2-24-64(25-3-1)101-106-88(62-89(107-101)77-34-22-32-75-70-26-4-10-36-81(70)103(98(75)77)83-38-12-19-45-94(83)111-95-46-20-13-39-84(95)103)63-48-54-68(55-49-63)110-92-44-18-9-30-74(92)80-60-66(52-58-93(80)110)67-53-59-97-86(61-67)104(85-40-14-21-47-96(85)112-97)82-37-11-5-27-71(82)76-33-23-35-79(99(76)104)100-78-31-6-15-41-87(78)105-102(108-100)65-50-56-69(57-51-65)109-90-42-16-7-28-72(90)73-29-8-17-43-91(73)109/h1-62H
InChIKeyZOTHTPKSJMPUBZ-UHFFFAOYSA-N
MW1427.68 g/mol
LogP25.55
Rot. Bonds8

About 3-[1-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl)phenyl]carbazole

3-[1-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl)phenyl]carbazole (PubChem CID 166650958) has the molecular formula C104H62N6O2 and a molecular weight of 1427.68 g/mol. Its IUPAC name is 3-[1-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-[1-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl)phenyl]carbazole
PubChem CID166650958
Molecular FormulaC104H62N6O2
Molecular Weight1427.68 g/mol
Exact Mass1426.49
IUPAC Name3-[1-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl)phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)C6(c8ccccc8O7)c7ccccc7-c7cccc(-c8nc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)nc9ccccc89)c76)ccc54)cc3)cc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)n2)cc1
InChIInChI=1S/C104H62N6O2/c1-2-24-64(25-3-1)101-106-88(62-89(107-101)77-34-22-32-75-70-26-4-10-36-81(70)103(98(75)77)83-38-12-19-45-94(83)111-95-46-20-13-39-84(95)103)63-48-54-68(55-49-63)110-92-44-18-9-30-74(92)80-60-66(52-58-93(80)110)67-53-59-97-86(61-67)104(85-40-14-21-47-96(85)112-97)82-37-11-5-27-71(82)76-33-23-35-79(99(76)104)100-78-31-6-15-41-87(78)105-102(108-100)65-50-56-69(57-51-65)109-90-42-16-7-28-72(90)73-29-8-17-43-91(73)109/h1-62H
InChIKeyZOTHTPKSJMPUBZ-UHFFFAOYSA-N
XLogP25.55
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001427.68
LogP ≤ 525.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[1-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl)phenyl]carbazole with MolForge

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Related Compounds

9-[3-[4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-1-yl-1,3,5-triazin-2-yl]phenyl]carbazole;9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl)phenyl]carbazole;9-[4-(6-phenyl-2-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl)phenyl]carbazole;9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-yl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(2-spiro[fluorene-9,9'-xanthene]-1-ylquinazolin-4-yl)phenyl]carbazole;9-[4-(4-spiro[fluorene-9,9'-xanthene]-1-ylquinazolin-2-yl)phenyl]carbazole
CID 159620687
9-[3-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 139306563
9-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 137388498
9-[4-[4-(9,9-dimethylspiro[anthracene-10,9'-xanthene]-2'-yl)-6-phenylpyrimidin-2-yl]phenyl]carbazole
CID 166995555
9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139306362
9-phenyl-3-[7'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,9'-xanthene]-2'-yl]carbazole
CID 167178048
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288850
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584
7-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazin-2-yl)phenyl]benzo[c]carbazole
CID 166737834
2-(6-dibenzofuran-4-yldibenzofuran-1-yl)-4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-dibenzofuran-1-yl-4-spiro[fluorene-9,9'-xanthene]-4-ylquinazoline;2,4-di(dibenzofuran-4-yl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;2-phenyl-4-(8-phenyldibenzofuran-1-yl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazine;9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-ylpyrimidin-2-yl)phenyl]carbazole;9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 160526768
2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 140923164

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl)phenyl]carbazole?
The IUPAC name of 3-[1-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl)phenyl]carbazole (CID 166650958) is 3-[1-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl)phenyl]carbazole.
What is the SMILES notation for 3-[1-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl)phenyl]carbazole?
The canonical SMILES for 3-[1-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl)phenyl]carbazole is c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)C6(c8ccccc8O7)c7ccccc7-c7cccc(-c8nc(-c9ccc(-n%10c%11ccccc%11c%11ccccc%11%10)cc9)nc9ccccc89)c76)ccc54)cc3)cc(-c3cccc4c3C3(c5ccccc5Oc5ccccc53)c3ccccc3-4)n2)cc1.
What is the InChIKey of 3-[1-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl)phenyl]carbazole?
The InChIKey is ZOTHTPKSJMPUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H62N6O2/c1-2-24-64(25-3-1)101-106-88(62-89(107-101)77-34-22-32-75-70-26-4-10-36-81(70)103(98(75)77)83-38-12-19-45-94(83)111-95-46-20-13-39-84(95)103)63-48-54-68(55-49-63)110-92-44-18-9-30-74(92)80-60-66(52-58-93(80)110)67-53-59-97-86(61-67)104(85-40-14-21-47-96(85)112-97)82-37-11-5-27-71(82)76-33-23-35-79(99(76)104)100-78-31-6-15-41-87(78)105-102(108-100)65-50-56-69(57-51-65)109-90-42-16-7-28-72(90)73-29-8-17-43-91(73)109/h1-62H.
What are the key properties of 3-[1-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl)phenyl]carbazole?
3-[1-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl)phenyl]carbazole has a molecular weight of 1427.68 g/mol, XLogP of 25.55, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-carbazol-9-ylphenyl)quinazolin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]-9-[4-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-4-yl)phenyl]carbazole is sourced from PubChem (CID 166650958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).