9,12-bis(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene;9-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]carbazole;2-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]pyridine;7,8,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,9,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene

C317H220F6N2 — CID 159036362

IUPAC9,12-bis(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene;9-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]carbazole;2-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]pyridine;7,8,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,9,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene
SMILESCC1(C(F)(F)F)c2ccccc2-c2ccc(-c3c4c(c(-c5ccc6c(c5)C(C)(C(F)(F)F)c5ccccc5-6)c5ccccc35)-c3cccc5cccc-4c35)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4c(c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5c(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cccc35)-c3cccc5cccc-4c35)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4c(c(-c5ccccn5)c5ccccc35)-c3cccc5cccc-4c35)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4c(c(-n5c6ccccc6c6ccccc65)c5ccccc35)-c3cccc5cccc-4c35)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5c(c(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c4c3)-c3cccc4cccc-5c34)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5c(cc4c3)-c3cccc4cccc-5c34)cc21
InChIInChI=1S/2C65H48.C50H30F6.C50H36.C47H31N.C40H27N/c1-63(2)51-25-10-7-18-42(51)45-31-28-38(34-54(45)63)41-21-15-24-50-58(39-29-32-46-43-19-8-11-26-52(43)64(3,4)55(46)35-39)61-48-22-13-16-37-17-14-23-49(57(37)48)62(61)59(60(41)50)40-30-33-47-44-20-9-12-27-53(44)65(5,6)56(47)36-40;1-63(2)52-22-10-7-17-42(52)45-29-25-39(34-55(45)63)38-26-32-48-51(33-38)60(41-28-31-47-44-19-9-12-24-54(44)65(5,6)57(47)36-41)62-50-21-14-16-37-15-13-20-49(58(37)50)61(62)59(48)40-27-30-46-43-18-8-11-23-53(43)64(3,4)56(46)35-40;1-47(49(51,52)53)38-19-7-5-13-30(38)32-23-21-28(25-40(32)47)43-34-15-3-4-16-35(34)44(46-37-18-10-12-27-11-9-17-36(42(27)37)45(43)46)29-22-24-33-31-14-6-8-20-39(31)48(2,41(33)26-29)50(54,55)56;1-49(2)42-17-7-5-13-35(42)37-23-20-31(27-44(37)49)30-19-22-34-33(25-30)26-41-39-15-9-11-29-12-10-16-40(46(29)39)48(41)47(34)32-21-24-38-36-14-6-8-18-43(36)50(3,4)45(38)28-32;1-47(2)38-22-8-5-15-30(38)31-26-25-29(27-39(31)47)43-34-18-3-4-19-35(34)46(45-37-21-12-14-28-13-11-20-36(42(28)37)44(43)45)48-40-23-9-6-16-32(40)33-17-7-10-24-41(33)48;1-40(2)32-18-6-5-13-26(32)27-21-20-25(23-33(27)40)36-28-14-3-4-15-29(28)37(34-19-7-8-22-41-34)39-31-17-10-12-24-11-9-16-30(35(24)31)38(36)39/h2*7-36H,1-6H3;3-26H,1-2H3;5-28H,1-4H3;3-27H,1-2H3;3-23H,1-2H3
InChIKeyJVMUCLAADLJPTF-UHFFFAOYSA-N
MW4171.25 g/mol
LogP86.77
Rot. Bonds14

About 9,12-bis(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene;9-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]carbazole;2-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]pyridine;7,8,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,9,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene

9,12-bis(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene;9-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]carbazole;2-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]pyridine;7,8,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,9,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene (PubChem CID 159036362) has the molecular formula C317H220F6N2 and a molecular weight of 4171.25 g/mol. Its IUPAC name is 9,12-bis(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene;9-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]carbazole;2-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]pyridine;7,8,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,9,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene.

Molecular Properties

Compound Name9,12-bis(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene;9-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]carbazole;2-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]pyridine;7,8,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,9,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene
PubChem CID159036362
Molecular FormulaC317H220F6N2
Molecular Weight4171.25 g/mol
Exact Mass4167.72
IUPAC Name9,12-bis(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene;9-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]carbazole;2-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]pyridine;7,8,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,9,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene
SMILESCC1(C(F)(F)F)c2ccccc2-c2ccc(-c3c4c(c(-c5ccc6c(c5)C(C)(C(F)(F)F)c5ccccc5-6)c5ccccc35)-c3cccc5cccc-4c35)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4c(c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5c(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cccc35)-c3cccc5cccc-4c35)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4c(c(-c5ccccn5)c5ccccc35)-c3cccc5cccc-4c35)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4c(c(-n5c6ccccc6c6ccccc65)c5ccccc35)-c3cccc5cccc-4c35)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5c(c(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c4c3)-c3cccc4cccc-5c34)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5c(cc4c3)-c3cccc4cccc-5c34)cc21
InChIInChI=1S/2C65H48.C50H30F6.C50H36.C47H31N.C40H27N/c1-63(2)51-25-10-7-18-42(51)45-31-28-38(34-54(45)63)41-21-15-24-50-58(39-29-32-46-43-19-8-11-26-52(43)64(3,4)55(46)35-39)61-48-22-13-16-37-17-14-23-49(57(37)48)62(61)59(60(41)50)40-30-33-47-44-20-9-12-27-53(44)65(5,6)56(47)36-40;1-63(2)52-22-10-7-17-42(52)45-29-25-39(34-55(45)63)38-26-32-48-51(33-38)60(41-28-31-47-44-19-9-12-24-54(44)65(5,6)57(47)36-41)62-50-21-14-16-37-15-13-20-49(58(37)50)61(62)59(48)40-27-30-46-43-18-8-11-23-53(43)64(3,4)56(46)35-40;1-47(49(51,52)53)38-19-7-5-13-30(38)32-23-21-28(25-40(32)47)43-34-15-3-4-16-35(34)44(46-37-18-10-12-27-11-9-17-36(42(27)37)45(43)46)29-22-24-33-31-14-6-8-20-39(31)48(2,41(33)26-29)50(54,55)56;1-49(2)42-17-7-5-13-35(42)37-23-20-31(27-44(37)49)30-19-22-34-33(25-30)26-41-39-15-9-11-29-12-10-16-40(46(29)39)48(41)47(34)32-21-24-38-36-14-6-8-18-43(36)50(3,4)45(38)28-32;1-47(2)38-22-8-5-15-30(38)31-26-25-29(27-39(31)47)43-34-18-3-4-19-35(34)46(45-37-21-12-14-28-13-11-20-36(42(28)37)44(43)45)48-40-23-9-6-16-32(40)33-17-7-10-24-41(33)48;1-40(2)32-18-6-5-13-26(32)27-21-20-25(23-33(27)40)36-28-14-3-4-15-29(28)37(34-19-7-8-22-41-34)39-31-17-10-12-24-11-9-16-30(35(24)31)38(36)39/h2*7-36H,1-6H3;3-26H,1-2H3;5-28H,1-4H3;3-27H,1-2H3;3-23H,1-2H3
InChIKeyJVMUCLAADLJPTF-UHFFFAOYSA-N
XLogP86.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms325
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004171.25
LogP ≤ 586.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9,12-bis(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene;9-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]carbazole;2-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]pyridine;7,8,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,9,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9,12-bis(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene;9-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]carbazole;2-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]pyridine;7,8,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,9,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene?
The IUPAC name of 9,12-bis(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene;9-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]carbazole;2-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]pyridine;7,8,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,9,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene (CID 159036362) is 9,12-bis(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene;9-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]carbazole;2-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]pyridine;7,8,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,9,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene.
What is the SMILES notation for 9,12-bis(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene;9-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]carbazole;2-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]pyridine;7,8,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,9,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene?
The canonical SMILES for 9,12-bis(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene;9-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]carbazole;2-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]pyridine;7,8,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,9,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene is CC1(C(F)(F)F)c2ccccc2-c2ccc(-c3c4c(c(-c5ccc6c(c5)C(C)(C(F)(F)F)c5ccccc5-6)c5ccccc35)-c3cccc5cccc-4c35)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4c(c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5c(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)cccc35)-c3cccc5cccc-4c35)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4c(c(-c5ccccn5)c5ccccc35)-c3cccc5cccc-4c35)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4c(c(-n5c6ccccc6c6ccccc65)c5ccccc35)-c3cccc5cccc-4c35)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5c(c(-c6ccc7c(c6)C(C)(C)c6ccccc6-7)c4c3)-c3cccc4cccc-5c34)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c5c(cc4c3)-c3cccc4cccc-5c34)cc21.
What is the InChIKey of 9,12-bis(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene;9-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]carbazole;2-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]pyridine;7,8,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,9,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene?
The InChIKey is JVMUCLAADLJPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C65H48.C50H30F6.C50H36.C47H31N.C40H27N/c1-63(2)51-25-10-7-18-42(51)45-31-28-38(34-54(45)63)41-21-15-24-50-58(39-29-32-46-43-19-8-11-26-52(43)64(3,4)55(46)35-39)61-48-22-13-16-37-17-14-23-49(57(37)48)62(61)59(60(41)50)40-30-33-47-44-20-9-12-27-53(44)65(5,6)56(47)36-40;1-63(2)52-22-10-7-17-42(52)45-29-25-39(34-55(45)63)38-26-32-48-51(33-38)60(41-28-31-47-44-19-9-12-24-54(44)65(5,6)57(47)36-41)62-50-21-14-16-37-15-13-20-49(58(37)50)61(62)59(48)40-27-30-46-43-18-8-11-23-53(43)64(3,4)56(46)35-40;1-47(49(51,52)53)38-19-7-5-13-30(38)32-23-21-28(25-40(32)47)43-34-15-3-4-16-35(34)44(46-37-18-10-12-27-11-9-17-36(42(27)37)45(43)46)29-22-24-33-31-14-6-8-20-39(31)48(2,41(33)26-29)50(54,55)56;1-49(2)42-17-7-5-13-35(42)37-23-20-31(27-44(37)49)30-19-22-34-33(25-30)26-41-39-15-9-11-29-12-10-16-40(46(29)39)48(41)47(34)32-21-24-38-36-14-6-8-18-43(36)50(3,4)45(38)28-32;1-47(2)38-22-8-5-15-30(38)31-26-25-29(27-39(31)47)43-34-18-3-4-19-35(34)46(45-37-21-12-14-28-13-11-20-36(42(28)37)44(43)45)48-40-23-9-6-16-32(40)33-17-7-10-24-41(33)48;1-40(2)32-18-6-5-13-26(32)27-21-20-25(23-33(27)40)36-28-14-3-4-15-29(28)37(34-19-7-8-22-41-34)39-31-17-10-12-24-11-9-16-30(35(24)31)38(36)39/h2*7-36H,1-6H3;3-26H,1-2H3;5-28H,1-4H3;3-27H,1-2H3;3-23H,1-2H3.
What are the key properties of 9,12-bis(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene;9-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]carbazole;2-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]pyridine;7,8,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,9,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene?
9,12-bis(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene;9-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]carbazole;2-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]pyridine;7,8,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,9,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene has a molecular weight of 4171.25 g/mol, XLogP of 86.77, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,12-bis(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,12-bis[9-methyl-9-(trifluoromethyl)fluoren-2-yl]benzo[k]fluoranthene;9-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]carbazole;2-[12-(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthen-7-yl]pyridine;7,8,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene;7,9,12-tris(9,9-dimethylfluoren-2-yl)benzo[k]fluoranthene is sourced from PubChem (CID 159036362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).