3,6-bis(6,9-diphenylcarbazol-3-yl)-9-phenylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;9-(9,9-dimethylfluoren-2-yl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole

C184H123N9 — CID 160749194

IUPAC3,6-bis(6,9-diphenylcarbazol-3-yl)-9-phenylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;9-(9,9-dimethylfluoren-2-yl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc21.[2H]c1c([2H])c(C)c([2H])c(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c1[2H].c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)ccc4n5-c4ccccc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C66H43N3.C63H43N3.C55H37N3/c1-6-16-44(17-7-1)46-26-32-61-55(38-46)57-40-48(28-34-63(57)67(61)52-20-10-3-11-21-52)50-30-36-65-59(42-50)60-43-51(31-37-66(60)69(65)54-24-14-5-15-25-54)49-29-35-64-58(41-49)56-39-47(45-18-8-2-9-19-45)27-33-62(56)68(64)53-22-12-4-13-23-53;1-63(2)55-22-12-9-19-47(55)48-30-29-46(39-56(48)63)66-61-33-27-42(40-25-31-59-51(35-40)49-20-10-13-23-57(49)64(59)44-15-5-3-6-16-44)37-53(61)54-38-43(28-34-62(54)66)41-26-32-60-52(36-41)50-21-11-14-24-58(50)65(60)45-17-7-4-8-18-45;1-36-13-12-18-43(31-36)58-54-29-25-39(37-23-27-52-46(32-37)44-19-8-10-21-50(44)56(52)41-14-4-2-5-15-41)34-48(54)49-35-40(26-30-55(49)58)38-24-28-53-47(33-38)45-20-9-11-22-51(45)57(53)42-16-6-3-7-17-42/h1-43H;3-39H,1-2H3;2-35H,1H3/i;;12D,13D,18D,31D
InChIKeyRWOYSVKLIQZNDI-MYUUFHONSA-N
MW2464.10 g/mol
LogP48.88
Rot. Bonds17

About 3,6-bis(6,9-diphenylcarbazol-3-yl)-9-phenylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;9-(9,9-dimethylfluoren-2-yl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole

3,6-bis(6,9-diphenylcarbazol-3-yl)-9-phenylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;9-(9,9-dimethylfluoren-2-yl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole (PubChem CID 160749194) has the molecular formula C184H123N9 and a molecular weight of 2464.10 g/mol. Its IUPAC name is 3,6-bis(6,9-diphenylcarbazol-3-yl)-9-phenylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;9-(9,9-dimethylfluoren-2-yl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3,6-bis(6,9-diphenylcarbazol-3-yl)-9-phenylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;9-(9,9-dimethylfluoren-2-yl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
PubChem CID160749194
Molecular FormulaC184H123N9
Molecular Weight2464.10 g/mol
Exact Mass2462.02
IUPAC Name3,6-bis(6,9-diphenylcarbazol-3-yl)-9-phenylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;9-(9,9-dimethylfluoren-2-yl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc21.[2H]c1c([2H])c(C)c([2H])c(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c1[2H].c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)ccc4n5-c4ccccc4)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C66H43N3.C63H43N3.C55H37N3/c1-6-16-44(17-7-1)46-26-32-61-55(38-46)57-40-48(28-34-63(57)67(61)52-20-10-3-11-21-52)50-30-36-65-59(42-50)60-43-51(31-37-66(60)69(65)54-24-14-5-15-25-54)49-29-35-64-58(41-49)56-39-47(45-18-8-2-9-19-45)27-33-62(56)68(64)53-22-12-4-13-23-53;1-63(2)55-22-12-9-19-47(55)48-30-29-46(39-56(48)63)66-61-33-27-42(40-25-31-59-51(35-40)49-20-10-13-23-57(49)64(59)44-15-5-3-6-16-44)37-53(61)54-38-43(28-34-62(54)66)41-26-32-60-52(36-41)50-21-11-14-24-58(50)65(60)45-17-7-4-8-18-45;1-36-13-12-18-43(31-36)58-54-29-25-39(37-23-27-52-46(32-37)44-19-8-10-21-50(44)56(52)41-14-4-2-5-15-41)34-48(54)49-35-40(26-30-55(49)58)38-24-28-53-47(33-38)45-20-9-11-22-51(45)57(53)42-16-6-3-7-17-42/h1-43H;3-39H,1-2H3;2-35H,1H3/i;;12D,13D,18D,31D
InChIKeyRWOYSVKLIQZNDI-MYUUFHONSA-N
XLogP48.88
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms193
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002464.10
LogP ≤ 548.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3,6-bis(6,9-diphenylcarbazol-3-yl)-9-phenylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;9-(9,9-dimethylfluoren-2-yl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(6,9-diphenylcarbazol-3-yl)-9-phenylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;9-(9,9-dimethylfluoren-2-yl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 3,6-bis(6,9-diphenylcarbazol-3-yl)-9-phenylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;9-(9,9-dimethylfluoren-2-yl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole (CID 160749194) is 3,6-bis(6,9-diphenylcarbazol-3-yl)-9-phenylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;9-(9,9-dimethylfluoren-2-yl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3,6-bis(6,9-diphenylcarbazol-3-yl)-9-phenylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;9-(9,9-dimethylfluoren-2-yl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 3,6-bis(6,9-diphenylcarbazol-3-yl)-9-phenylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;9-(9,9-dimethylfluoren-2-yl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)cc21.[2H]c1c([2H])c(C)c([2H])c(-n2c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)c1[2H].c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)ccc4n5-c4ccccc4)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 3,6-bis(6,9-diphenylcarbazol-3-yl)-9-phenylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;9-(9,9-dimethylfluoren-2-yl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is RWOYSVKLIQZNDI-MYUUFHONSA-N. The full InChI is InChI=1S/C66H43N3.C63H43N3.C55H37N3/c1-6-16-44(17-7-1)46-26-32-61-55(38-46)57-40-48(28-34-63(57)67(61)52-20-10-3-11-21-52)50-30-36-65-59(42-50)60-43-51(31-37-66(60)69(65)54-24-14-5-15-25-54)49-29-35-64-58(41-49)56-39-47(45-18-8-2-9-19-45)27-33-62(56)68(64)53-22-12-4-13-23-53;1-63(2)55-22-12-9-19-47(55)48-30-29-46(39-56(48)63)66-61-33-27-42(40-25-31-59-51(35-40)49-20-10-13-23-57(49)64(59)44-15-5-3-6-16-44)37-53(61)54-38-43(28-34-62(54)66)41-26-32-60-52(36-41)50-21-11-14-24-58(50)65(60)45-17-7-4-8-18-45;1-36-13-12-18-43(31-36)58-54-29-25-39(37-23-27-52-46(32-37)44-19-8-10-21-50(44)56(52)41-14-4-2-5-15-41)34-48(54)49-35-40(26-30-55(49)58)38-24-28-53-47(33-38)45-20-9-11-22-51(45)57(53)42-16-6-3-7-17-42/h1-43H;3-39H,1-2H3;2-35H,1H3/i;;12D,13D,18D,31D.
What are the key properties of 3,6-bis(6,9-diphenylcarbazol-3-yl)-9-phenylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;9-(9,9-dimethylfluoren-2-yl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
3,6-bis(6,9-diphenylcarbazol-3-yl)-9-phenylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;9-(9,9-dimethylfluoren-2-yl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 2464.10 g/mol, XLogP of 48.88, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(6,9-diphenylcarbazol-3-yl)-9-phenylcarbazole;3,6-bis(9-phenylcarbazol-3-yl)-9-(2,3,4,6-tetradeuterio-5-methylphenyl)carbazole;9-(9,9-dimethylfluoren-2-yl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 160749194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).