10-(9-dibenzofuran-2-yl-6-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane];[3-[3,6-di(spiro[acridine-9,2'-adamantane]-10-yl)carbazol-9-yl]phenyl]-triphenylsilane;10-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[acridine-9,2'-adamantane]

C200H167N9OSi — CID 163736332

IUPAC10-(9-dibenzofuran-2-yl-6-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane];[3-[3,6-di(spiro[acridine-9,2'-adamantane]-10-yl)carbazol-9-yl]phenyl]-triphenylsilane;10-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[acridine-9,2'-adamantane]
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(N6c7ccccc7C7(c8ccccc86)C6CC8CC(C6)CC7C8)ccc54)ccc32)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccc(N5c6ccccc6C6(c7ccccc75)C5CC7CC(C5)CC6C7)cc4c4cc(N5c6ccccc6C6(c7ccccc75)C5CC7CC(C5)CC6C7)ccc43)c2)cc1.c1ccc2c(c1)N(c1ccc3c(c1)c1cc(N4c5ccccc5C5(c6ccccc64)C4CC6CC(C4)CC5C6)ccc1n3-c1ccc3oc4ccccc4c3c1)c1ccccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C80H69N3Si.C68H57N3O.C52H41N3/c1-4-20-63(21-5-1)84(64-22-6-2-7-23-64,65-24-8-3-9-25-65)66-26-18-19-60(49-66)81-73-37-35-61(82-75-31-14-10-27-69(75)79(70-28-11-15-32-76(70)82)56-41-52-39-53(43-56)44-57(79)42-52)50-67(73)68-51-62(36-38-74(68)81)83-77-33-16-12-29-71(77)80(72-30-13-17-34-78(72)83)58-45-54-40-55(47-58)48-59(80)46-54;1-10-20-65-51(11-1)54-39-50(23-26-66(54)72-65)69-59-24-21-48(70-61-16-6-2-12-55(61)67(56-13-3-7-17-62(56)70)44-29-40-27-41(31-44)32-45(67)30-40)37-52(59)53-38-49(22-25-60(53)69)71-63-18-8-4-14-57(63)68(58-15-5-9-19-64(58)71)46-33-42-28-43(35-46)36-47(68)34-42;1-2-12-37(13-3-1)53-46-18-8-4-14-40(46)42-31-38(22-24-48(42)53)54-47-19-9-5-15-41(47)43-32-39(23-25-49(43)54)55-50-20-10-6-16-44(50)52(45-17-7-11-21-51(45)55)35-27-33-26-34(29-35)30-36(52)28-33/h1-38,49-59H,39-48H2;1-26,37-47H,27-36H2;1-25,31-36H,26-30H2
InChIKeyLDXQTNQZLBAPJT-UHFFFAOYSA-N
MW2740.68 g/mol
LogP48.35
Rot. Bonds13

About 10-(9-dibenzofuran-2-yl-6-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane];[3-[3,6-di(spiro[acridine-9,2'-adamantane]-10-yl)carbazol-9-yl]phenyl]-triphenylsilane;10-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[acridine-9,2'-adamantane]

10-(9-dibenzofuran-2-yl-6-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane];[3-[3,6-di(spiro[acridine-9,2'-adamantane]-10-yl)carbazol-9-yl]phenyl]-triphenylsilane;10-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[acridine-9,2'-adamantane] (PubChem CID 163736332) has the molecular formula C200H167N9OSi and a molecular weight of 2740.68 g/mol. Its IUPAC name is 10-(9-dibenzofuran-2-yl-6-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane];[3-[3,6-di(spiro[acridine-9,2'-adamantane]-10-yl)carbazol-9-yl]phenyl]-triphenylsilane;10-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[acridine-9,2'-adamantane].

Molecular Properties

Compound Name10-(9-dibenzofuran-2-yl-6-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane];[3-[3,6-di(spiro[acridine-9,2'-adamantane]-10-yl)carbazol-9-yl]phenyl]-triphenylsilane;10-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[acridine-9,2'-adamantane]
PubChem CID163736332
Molecular FormulaC200H167N9OSi
Molecular Weight2740.68 g/mol
Exact Mass2738.31
IUPAC Name10-(9-dibenzofuran-2-yl-6-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane];[3-[3,6-di(spiro[acridine-9,2'-adamantane]-10-yl)carbazol-9-yl]phenyl]-triphenylsilane;10-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[acridine-9,2'-adamantane]
SMILESc1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(N6c7ccccc7C7(c8ccccc86)C6CC8CC(C6)CC7C8)ccc54)ccc32)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccc(N5c6ccccc6C6(c7ccccc75)C5CC7CC(C5)CC6C7)cc4c4cc(N5c6ccccc6C6(c7ccccc75)C5CC7CC(C5)CC6C7)ccc43)c2)cc1.c1ccc2c(c1)N(c1ccc3c(c1)c1cc(N4c5ccccc5C5(c6ccccc64)C4CC6CC(C4)CC5C6)ccc1n3-c1ccc3oc4ccccc4c3c1)c1ccccc1C21C2CC3CC(C2)CC1C3
InChIInChI=1S/C80H69N3Si.C68H57N3O.C52H41N3/c1-4-20-63(21-5-1)84(64-22-6-2-7-23-64,65-24-8-3-9-25-65)66-26-18-19-60(49-66)81-73-37-35-61(82-75-31-14-10-27-69(75)79(70-28-11-15-32-76(70)82)56-41-52-39-53(43-56)44-57(79)42-52)50-67(73)68-51-62(36-38-74(68)81)83-77-33-16-12-29-71(77)80(72-30-13-17-34-78(72)83)58-45-54-40-55(47-58)48-59(80)46-54;1-10-20-65-51(11-1)54-39-50(23-26-66(54)72-65)69-59-24-21-48(70-61-16-6-2-12-55(61)67(56-13-3-7-17-62(56)70)44-29-40-27-41(31-44)32-45(67)30-40)37-52(59)53-38-49(22-25-60(53)69)71-63-18-8-4-14-57(63)68(58-15-5-9-19-64(58)71)46-33-42-28-43(35-46)36-47(68)34-42;1-2-12-37(13-3-1)53-46-18-8-4-14-40(46)42-31-38(22-24-48(42)53)54-47-19-9-5-15-41(47)43-32-39(23-25-49(43)54)55-50-20-10-6-16-44(50)52(45-17-7-11-21-51(45)55)35-27-33-26-34(29-35)30-36(52)28-33/h1-38,49-59H,39-48H2;1-26,37-47H,27-36H2;1-25,31-36H,26-30H2
InChIKeyLDXQTNQZLBAPJT-UHFFFAOYSA-N
XLogP48.35
TPSA49.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms211
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002740.68
LogP ≤ 548.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 10-(9-dibenzofuran-2-yl-6-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane];[3-[3,6-di(spiro[acridine-9,2'-adamantane]-10-yl)carbazol-9-yl]phenyl]-triphenylsilane;10-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[acridine-9,2'-adamantane] with MolForge

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Related Compounds

triphenyl-[3-(3-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-9-yl)phenyl]silane
CID 163761357
10-[9-[2-(3-carbazol-9-ylphenyl)phenyl]carbazol-3-yl]spiro[acridine-9,2'-adamantane]
CID 163809128
(5-carbazol-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-yl)-diphenyl-(3-phenylphenyl)silane
CID 164983032
10-(9-dibenzothiophen-2-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane]
CID 163667947
(10-carbazol-9-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,2'-adamantane]-17-yl)-triphenylsilane;triphenyl-(9-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-10-ylcarbazol-2-yl)silane;triphenyl-(9-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-5-ylcarbazol-2-yl)silane;triphenyl-(9-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,2'-adamantane]-5-ylcarbazol-3-yl)silane
CID 164961047
[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-diphenyl-(9-phenylcarbazol-3-yl)silane
CID 140842638
dibenzofuran-2-yl-diphenyl-[3-[3-(3-phenylcarbazol-9-yl)-5-triphenylsilylcarbazol-9-yl]phenyl]silane
CID 171457987
[3-[3-(4-dibenzofuran-1-ylcarbazol-9-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 166588993
2-dibenzofuran-1-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole;bis(2-dibenzofuran-2-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole);3-dibenzofuran-3-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 165104436
bis(18-carbazol-9-yl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-diphenylsilane
CID 59147251
3-dibenzofuran-4-yl-9-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazole
CID 164810057
[3-[(E)-2-(8-carbazol-9-yldibenzofuran-2-yl)ethenyl]phenyl]-triphenylsilane
CID 140702791

Frequently Asked Questions

What is the IUPAC name of 10-(9-dibenzofuran-2-yl-6-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane];[3-[3,6-di(spiro[acridine-9,2'-adamantane]-10-yl)carbazol-9-yl]phenyl]-triphenylsilane;10-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[acridine-9,2'-adamantane]?
The IUPAC name of 10-(9-dibenzofuran-2-yl-6-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane];[3-[3,6-di(spiro[acridine-9,2'-adamantane]-10-yl)carbazol-9-yl]phenyl]-triphenylsilane;10-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[acridine-9,2'-adamantane] (CID 163736332) is 10-(9-dibenzofuran-2-yl-6-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane];[3-[3,6-di(spiro[acridine-9,2'-adamantane]-10-yl)carbazol-9-yl]phenyl]-triphenylsilane;10-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[acridine-9,2'-adamantane].
What is the SMILES notation for 10-(9-dibenzofuran-2-yl-6-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane];[3-[3,6-di(spiro[acridine-9,2'-adamantane]-10-yl)carbazol-9-yl]phenyl]-triphenylsilane;10-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[acridine-9,2'-adamantane]?
The canonical SMILES for 10-(9-dibenzofuran-2-yl-6-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane];[3-[3,6-di(spiro[acridine-9,2'-adamantane]-10-yl)carbazol-9-yl]phenyl]-triphenylsilane;10-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[acridine-9,2'-adamantane] is c1ccc(-n2c3ccccc3c3cc(-n4c5ccccc5c5cc(N6c7ccccc7C7(c8ccccc86)C6CC8CC(C6)CC7C8)ccc54)ccc32)cc1.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cccc(-n3c4ccc(N5c6ccccc6C6(c7ccccc75)C5CC7CC(C5)CC6C7)cc4c4cc(N5c6ccccc6C6(c7ccccc75)C5CC7CC(C5)CC6C7)ccc43)c2)cc1.c1ccc2c(c1)N(c1ccc3c(c1)c1cc(N4c5ccccc5C5(c6ccccc64)C4CC6CC(C4)CC5C6)ccc1n3-c1ccc3oc4ccccc4c3c1)c1ccccc1C21C2CC3CC(C2)CC1C3.
What is the InChIKey of 10-(9-dibenzofuran-2-yl-6-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane];[3-[3,6-di(spiro[acridine-9,2'-adamantane]-10-yl)carbazol-9-yl]phenyl]-triphenylsilane;10-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[acridine-9,2'-adamantane]?
The InChIKey is LDXQTNQZLBAPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H69N3Si.C68H57N3O.C52H41N3/c1-4-20-63(21-5-1)84(64-22-6-2-7-23-64,65-24-8-3-9-25-65)66-26-18-19-60(49-66)81-73-37-35-61(82-75-31-14-10-27-69(75)79(70-28-11-15-32-76(70)82)56-41-52-39-53(43-56)44-57(79)42-52)50-67(73)68-51-62(36-38-74(68)81)83-77-33-16-12-29-71(77)80(72-30-13-17-34-78(72)83)58-45-54-40-55(47-58)48-59(80)46-54;1-10-20-65-51(11-1)54-39-50(23-26-66(54)72-65)69-59-24-21-48(70-61-16-6-2-12-55(61)67(56-13-3-7-17-62(56)70)44-29-40-27-41(31-44)32-45(67)30-40)37-52(59)53-38-49(22-25-60(53)69)71-63-18-8-4-14-57(63)68(58-15-5-9-19-64(58)71)46-33-42-28-43(35-46)36-47(68)34-42;1-2-12-37(13-3-1)53-46-18-8-4-14-40(46)42-31-38(22-24-48(42)53)54-47-19-9-5-15-41(47)43-32-39(23-25-49(43)54)55-50-20-10-6-16-44(50)52(45-17-7-11-21-51(45)55)35-27-33-26-34(29-35)30-36(52)28-33/h1-38,49-59H,39-48H2;1-26,37-47H,27-36H2;1-25,31-36H,26-30H2.
What are the key properties of 10-(9-dibenzofuran-2-yl-6-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane];[3-[3,6-di(spiro[acridine-9,2'-adamantane]-10-yl)carbazol-9-yl]phenyl]-triphenylsilane;10-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[acridine-9,2'-adamantane]?
10-(9-dibenzofuran-2-yl-6-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane];[3-[3,6-di(spiro[acridine-9,2'-adamantane]-10-yl)carbazol-9-yl]phenyl]-triphenylsilane;10-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[acridine-9,2'-adamantane] has a molecular weight of 2740.68 g/mol, XLogP of 48.35, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(9-dibenzofuran-2-yl-6-spiro[acridine-9,2'-adamantane]-10-ylcarbazol-3-yl)spiro[acridine-9,2'-adamantane];[3-[3,6-di(spiro[acridine-9,2'-adamantane]-10-yl)carbazol-9-yl]phenyl]-triphenylsilane;10-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[acridine-9,2'-adamantane] is sourced from PubChem (CID 163736332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).