2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(9-phenylcarbazol-2-yl)carbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole;2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(9-phenylcarbazol-2-yl)carbazole

C209H142N12 — CID 162139174

IUPAC2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(9-phenylcarbazol-2-yl)carbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole;2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(9-phenylcarbazol-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c6c5)ccc43)cc21.Cc1ccc2c(c1)c1cc(-c3ccc4c5cc(C)ccc5n(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4c3)ccc1n2-c1ccccc1.Cc1ccc2c(c1)c1cc(-c3ccc4c5cc(C)ccc5n(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4c3)ccc1n2-c1ccccc1.c1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7ccccc67)cc54)cc32)cc1
InChIInChI=1S/C57H39N3.C52H33N3.2C50H35N3/c1-57(2)49-20-10-6-16-41(49)42-29-26-39(34-50(42)57)59-53-23-13-9-19-45(53)48-32-36(25-31-54(48)59)37-24-28-46-43-17-8-12-22-52(43)60(55(46)33-37)40-27-30-47-44-18-7-11-21-51(44)58(56(47)35-40)38-14-4-3-5-15-38;1-2-15-37(16-3-1)53-47-21-9-6-19-41(47)44-29-27-38(33-52(44)53)54-48-22-10-7-18-40(48)43-28-25-36(32-51(43)54)35-26-30-50-45(31-35)42-20-8-11-23-49(42)55(50)46-24-12-14-34-13-4-5-17-39(34)46;1-32-17-24-46-42(27-32)41-22-19-35(34-20-26-48-44(29-34)43-28-33(2)18-25-47(43)51(48)36-11-5-3-6-12-36)30-49(41)53(46)38-21-23-40-39-15-9-10-16-45(39)52(50(40)31-38)37-13-7-4-8-14-37;1-32-17-23-46-41(27-32)40-22-19-35(34-20-25-48-43(29-34)42-28-33(2)18-24-47(42)52(48)37-13-7-4-8-14-37)30-50(40)53(46)38-21-26-49-44(31-38)39-15-9-10-16-45(39)51(49)36-11-5-3-6-12-36/h3-35H,1-2H3;1-33H;2*3-31H,1-2H3
InChIKeyZJRUXGXQFQPSFO-UHFFFAOYSA-N
MW2821.52 g/mol
LogP55.27
Rot. Bonds16

About 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(9-phenylcarbazol-2-yl)carbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole;2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(9-phenylcarbazol-2-yl)carbazole

2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(9-phenylcarbazol-2-yl)carbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole;2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(9-phenylcarbazol-2-yl)carbazole (PubChem CID 162139174) has the molecular formula C209H142N12 and a molecular weight of 2821.52 g/mol. Its IUPAC name is 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(9-phenylcarbazol-2-yl)carbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole;2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(9-phenylcarbazol-2-yl)carbazole.

Molecular Properties

Compound Name2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(9-phenylcarbazol-2-yl)carbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole;2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(9-phenylcarbazol-2-yl)carbazole
PubChem CID162139174
Molecular FormulaC209H142N12
Molecular Weight2821.52 g/mol
Exact Mass2819.15
IUPAC Name2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(9-phenylcarbazol-2-yl)carbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole;2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(9-phenylcarbazol-2-yl)carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c6c5)ccc43)cc21.Cc1ccc2c(c1)c1cc(-c3ccc4c5cc(C)ccc5n(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4c3)ccc1n2-c1ccccc1.Cc1ccc2c(c1)c1cc(-c3ccc4c5cc(C)ccc5n(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4c3)ccc1n2-c1ccccc1.c1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7ccccc67)cc54)cc32)cc1
InChIInChI=1S/C57H39N3.C52H33N3.2C50H35N3/c1-57(2)49-20-10-6-16-41(49)42-29-26-39(34-50(42)57)59-53-23-13-9-19-45(53)48-32-36(25-31-54(48)59)37-24-28-46-43-17-8-12-22-52(43)60(55(46)33-37)40-27-30-47-44-18-7-11-21-51(44)58(56(47)35-40)38-14-4-3-5-15-38;1-2-15-37(16-3-1)53-47-21-9-6-19-41(47)44-29-27-38(33-52(44)53)54-48-22-10-7-18-40(48)43-28-25-36(32-51(43)54)35-26-30-50-45(31-35)42-20-8-11-23-49(42)55(50)46-24-12-14-34-13-4-5-17-39(34)46;1-32-17-24-46-42(27-32)41-22-19-35(34-20-26-48-44(29-34)43-28-33(2)18-25-47(43)51(48)36-11-5-3-6-12-36)30-49(41)53(46)38-21-23-40-39-15-9-10-16-45(39)52(50(40)31-38)37-13-7-4-8-14-37;1-32-17-23-46-41(27-32)40-22-19-35(34-20-25-48-43(29-34)42-28-33(2)18-24-47(42)52(48)37-13-7-4-8-14-37)30-50(40)53(46)38-21-26-49-44(31-38)39-15-9-10-16-45(39)51(49)36-11-5-3-6-12-36/h3-35H,1-2H3;1-33H;2*3-31H,1-2H3
InChIKeyZJRUXGXQFQPSFO-UHFFFAOYSA-N
XLogP55.27
TPSA59.16 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms221
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002821.52
LogP ≤ 555.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(9-phenylcarbazol-2-yl)carbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole;2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(9-phenylcarbazol-2-yl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(9-phenylcarbazol-2-yl)carbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole;2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(9-phenylcarbazol-2-yl)carbazole?
The IUPAC name of 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(9-phenylcarbazol-2-yl)carbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole;2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(9-phenylcarbazol-2-yl)carbazole (CID 162139174) is 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(9-phenylcarbazol-2-yl)carbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole;2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(9-phenylcarbazol-2-yl)carbazole.
What is the SMILES notation for 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(9-phenylcarbazol-2-yl)carbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole;2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(9-phenylcarbazol-2-yl)carbazole?
The canonical SMILES for 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(9-phenylcarbazol-2-yl)carbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole;2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(9-phenylcarbazol-2-yl)carbazole is CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c6c5)ccc43)cc21.Cc1ccc2c(c1)c1cc(-c3ccc4c5cc(C)ccc5n(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4c3)ccc1n2-c1ccccc1.Cc1ccc2c(c1)c1cc(-c3ccc4c5cc(C)ccc5n(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4c3)ccc1n2-c1ccccc1.c1ccc(-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6cccc7ccccc67)cc54)cc32)cc1.
What is the InChIKey of 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(9-phenylcarbazol-2-yl)carbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole;2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(9-phenylcarbazol-2-yl)carbazole?
The InChIKey is ZJRUXGXQFQPSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N3.C52H33N3.2C50H35N3/c1-57(2)49-20-10-6-16-41(49)42-29-26-39(34-50(42)57)59-53-23-13-9-19-45(53)48-32-36(25-31-54(48)59)37-24-28-46-43-17-8-12-22-52(43)60(55(46)33-37)40-27-30-47-44-18-7-11-21-51(44)58(56(47)35-40)38-14-4-3-5-15-38;1-2-15-37(16-3-1)53-47-21-9-6-19-41(47)44-29-27-38(33-52(44)53)54-48-22-10-7-18-40(48)43-28-25-36(32-51(43)54)35-26-30-50-45(31-35)42-20-8-11-23-49(42)55(50)46-24-12-14-34-13-4-5-17-39(34)46;1-32-17-24-46-42(27-32)41-22-19-35(34-20-26-48-44(29-34)43-28-33(2)18-25-47(43)51(48)36-11-5-3-6-12-36)30-49(41)53(46)38-21-23-40-39-15-9-10-16-45(39)52(50(40)31-38)37-13-7-4-8-14-37;1-32-17-23-46-41(27-32)40-22-19-35(34-20-25-48-43(29-34)42-28-33(2)18-24-47(42)52(48)37-13-7-4-8-14-37)30-50(40)53(46)38-21-26-49-44(31-38)39-15-9-10-16-45(39)51(49)36-11-5-3-6-12-36/h3-35H,1-2H3;1-33H;2*3-31H,1-2H3.
What are the key properties of 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(9-phenylcarbazol-2-yl)carbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole;2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(9-phenylcarbazol-2-yl)carbazole?
2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(9-phenylcarbazol-2-yl)carbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole;2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(9-phenylcarbazol-2-yl)carbazole has a molecular weight of 2821.52 g/mol, XLogP of 55.27, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(9-phenylcarbazol-2-yl)carbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-2-yl)carbazol-2-yl]-9-phenylcarbazole;3-methyl-6-[6-methyl-9-(9-phenylcarbazol-3-yl)carbazol-2-yl]-9-phenylcarbazole;2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(9-phenylcarbazol-2-yl)carbazole is sourced from PubChem (CID 162139174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).