13-(4,6-diphenyl-2-pyridinyl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]

C153H95N9O3 — CID 158807810

IUPAC13-(4,6-diphenyl-2-pyridinyl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccc6c(c54)Oc4ccccc4C64c5ccccc5-c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c43)Oc3ccccc3C53c4ccccc4-c4ccccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c(c54)Oc4ccccc4C64c5ccccc5-c5ccccc54)c3)n2)cc1
InChIInChI=1S/C53H33N3O.C52H32N4O.C48H30N2O/c1-3-16-34(17-4-1)46-33-47(55-52(54-46)35-18-5-2-6-19-35)36-20-15-21-37(32-36)56-48-28-13-9-24-40(48)41-30-31-45-51(50(41)56)57-49-29-14-12-27-44(49)53(45)42-25-10-7-22-38(42)39-23-8-11-26-43(39)53;1-3-16-33(17-4-1)49-53-50(34-18-5-2-6-19-34)55-51(54-49)35-20-15-21-36(32-35)56-45-28-13-9-24-39(45)40-30-31-44-48(47(40)56)57-46-29-14-12-27-43(46)52(44)41-25-10-7-22-37(41)38-23-8-11-26-42(38)52;1-3-15-31(16-4-1)33-29-42(32-17-5-2-6-18-32)49-45(30-33)50-43-25-13-9-21-36(43)37-27-28-41-47(46(37)50)51-44-26-14-12-24-40(44)48(41)38-22-10-7-19-34(38)35-20-8-11-23-39(35)48/h1-33H;1-32H;1-30H
InChIKeyIUHOYGAEXGEDSZ-UHFFFAOYSA-N
MW2107.50 g/mol
LogP37.46
Rot. Bonds11

About 13-(4,6-diphenyl-2-pyridinyl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]

13-(4,6-diphenyl-2-pyridinyl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene] (PubChem CID 158807810) has the molecular formula C153H95N9O3 and a molecular weight of 2107.50 g/mol. Its IUPAC name is 13-(4,6-diphenyl-2-pyridinyl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene].

Molecular Properties

Compound Name13-(4,6-diphenyl-2-pyridinyl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]
PubChem CID158807810
Molecular FormulaC153H95N9O3
Molecular Weight2107.50 g/mol
Exact Mass2105.76
IUPAC Name13-(4,6-diphenyl-2-pyridinyl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]
SMILESc1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccc6c(c54)Oc4ccccc4C64c5ccccc5-c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c43)Oc3ccccc3C53c4ccccc4-c4ccccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c(c54)Oc4ccccc4C64c5ccccc5-c5ccccc54)c3)n2)cc1
InChIInChI=1S/C53H33N3O.C52H32N4O.C48H30N2O/c1-3-16-34(17-4-1)46-33-47(55-52(54-46)35-18-5-2-6-19-35)36-20-15-21-37(32-36)56-48-28-13-9-24-40(48)41-30-31-45-51(50(41)56)57-49-29-14-12-27-44(49)53(45)42-25-10-7-22-38(42)39-23-8-11-26-43(39)53;1-3-16-33(17-4-1)49-53-50(34-18-5-2-6-19-34)55-51(54-49)35-20-15-21-36(32-35)56-45-28-13-9-24-39(45)40-30-31-44-48(47(40)56)57-46-29-14-12-27-43(46)52(44)41-25-10-7-22-37(41)38-23-8-11-26-42(38)52;1-3-15-31(16-4-1)33-29-42(32-17-5-2-6-18-32)49-45(30-33)50-43-25-13-9-21-36(43)37-27-28-41-47(46(37)50)51-44-26-14-12-24-40(44)48(41)38-22-10-7-19-34(38)35-20-8-11-23-39(35)48/h1-33H;1-32H;1-30H
InChIKeyIUHOYGAEXGEDSZ-UHFFFAOYSA-N
XLogP37.46
TPSA119.82 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms165
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002107.50
LogP ≤ 537.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 13-(4,6-diphenyl-2-pyridinyl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene] with MolForge

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Related Compounds

13-(2,6-diphenylpyrimidin-4-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[4-(4-phenylphenyl)quinazolin-2-yl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]
CID 159462825
(13S)-13'-(4,6-diphenyl-2-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]
CID 145314176
25-(4,6-diphenyl-2-pyridinyl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]
CID 158015915
13-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]
CID 130327350
9-[3-(4-phenyl-6-spiro[benzo[c]xanthene-7,9'-fluorene]-4'-ylpyrimidin-2-yl)phenyl]carbazole
CID 139307474
12'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90247208
9-[3-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-1-ylpyrimidin-2-yl)phenyl]phenyl]carbazole
CID 139306563
12'-[3-(6-dibenzofuran-1-yl-2-phenylpyrimidin-4-yl)phenyl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 130327316
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
12-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[2,3-a]carbazole
CID 161100572
9-[4-[3-(2-phenyl-6-spiro[fluorene-9,9'-xanthene]-2'-ylpyrimidin-4-yl)phenyl]phenyl]carbazole
CID 137388498
11-(3-phenylphenyl)-12-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]indolo[2,3-a]carbazole;11-(3-phenylphenyl)-12-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]indolo[2,3-a]carbazole;11-(3-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]indolo[2,3-a]carbazole;11-(3-phenylphenyl)-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 162151887

Frequently Asked Questions

What is the IUPAC name of 13-(4,6-diphenyl-2-pyridinyl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]?
The IUPAC name of 13-(4,6-diphenyl-2-pyridinyl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene] (CID 158807810) is 13-(4,6-diphenyl-2-pyridinyl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene].
What is the SMILES notation for 13-(4,6-diphenyl-2-pyridinyl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]?
The canonical SMILES for 13-(4,6-diphenyl-2-pyridinyl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene] is c1ccc(-c2cc(-c3cccc(-n4c5ccccc5c5ccc6c(c54)Oc4ccccc4C64c5ccccc5-c5ccccc54)c3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c43)Oc3ccccc3C53c4ccccc4-c4ccccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c(c54)Oc4ccccc4C64c5ccccc5-c5ccccc54)c3)n2)cc1.
What is the InChIKey of 13-(4,6-diphenyl-2-pyridinyl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]?
The InChIKey is IUHOYGAEXGEDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33N3O.C52H32N4O.C48H30N2O/c1-3-16-34(17-4-1)46-33-47(55-52(54-46)35-18-5-2-6-19-35)36-20-15-21-37(32-36)56-48-28-13-9-24-40(48)41-30-31-45-51(50(41)56)57-49-29-14-12-27-44(49)53(45)42-25-10-7-22-38(42)39-23-8-11-26-43(39)53;1-3-16-33(17-4-1)49-53-50(34-18-5-2-6-19-34)55-51(54-49)35-20-15-21-36(32-35)56-45-28-13-9-24-39(45)40-30-31-44-48(47(40)56)57-46-29-14-12-27-43(46)52(44)41-25-10-7-22-37(41)38-23-8-11-26-42(38)52;1-3-15-31(16-4-1)33-29-42(32-17-5-2-6-18-32)49-45(30-33)50-43-25-13-9-21-36(43)37-27-28-41-47(46(37)50)51-44-26-14-12-24-40(44)48(41)38-22-10-7-19-34(38)35-20-8-11-23-39(35)48/h1-33H;1-32H;1-30H.
What are the key properties of 13-(4,6-diphenyl-2-pyridinyl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene]?
13-(4,6-diphenyl-2-pyridinyl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene] has a molecular weight of 2107.50 g/mol, XLogP of 37.46, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(4,6-diphenyl-2-pyridinyl)spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene];13-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[chromeno[2,3-a]carbazole-7,9'-fluorene] is sourced from PubChem (CID 158807810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).