9-[2,6-bis[4-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole

C101H44F39N5 — CID 139313535

IUPAC9-[2,6-bis[4-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1cc(-c2ccc3c(c2)c2cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc2n3-c2ccncc2-c2cc(C(F)(F)F)cc(-c3cnccc3-n3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)c2-n2c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C101H44F39N5/c102-89(103,104)57-17-51(18-58(35-57)90(105,106)107)45-1-7-80-70(29-45)71-30-46(52-19-59(91(108,109)110)36-60(20-52)92(111,112)113)2-8-81(71)143(80)86-13-15-141-43-78(86)76-41-69(101(138,139)140)42-77(88(76)145-84-11-5-49(55-25-65(97(126,127)128)39-66(26-55)98(129,130)131)33-74(84)75-34-50(6-12-85(75)145)56-27-67(99(132,133)134)40-68(28-56)100(135,136)137)79-44-142-16-14-87(79)144-82-9-3-47(53-21-61(93(114,115)116)37-62(22-53)94(117,118)119)31-72(82)73-32-48(4-10-83(73)144)54-23-63(95(120,121)122)38-64(24-54)96(123,124)125/h1-44H
InChIKeyIUOLTIVLOCERCA-UHFFFAOYSA-N
MW2068.42 g/mol
LogP36.35
Rot. Bonds11

About 9-[2,6-bis[4-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole

9-[2,6-bis[4-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole (PubChem CID 139313535) has the molecular formula C101H44F39N5 and a molecular weight of 2068.42 g/mol. Its IUPAC name is 9-[2,6-bis[4-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole.

Molecular Properties

Compound Name9-[2,6-bis[4-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole
PubChem CID139313535
Molecular FormulaC101H44F39N5
Molecular Weight2068.42 g/mol
Exact Mass2067.30
IUPAC Name9-[2,6-bis[4-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole
SMILESFC(F)(F)c1cc(-c2ccc3c(c2)c2cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc2n3-c2ccncc2-c2cc(C(F)(F)F)cc(-c3cnccc3-n3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)c2-n2c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)cc(C(F)(F)F)c1
InChIInChI=1S/C101H44F39N5/c102-89(103,104)57-17-51(18-58(35-57)90(105,106)107)45-1-7-80-70(29-45)71-30-46(52-19-59(91(108,109)110)36-60(20-52)92(111,112)113)2-8-81(71)143(80)86-13-15-141-43-78(86)76-41-69(101(138,139)140)42-77(88(76)145-84-11-5-49(55-25-65(97(126,127)128)39-66(26-55)98(129,130)131)33-74(84)75-34-50(6-12-85(75)145)56-27-67(99(132,133)134)40-68(28-56)100(135,136)137)79-44-142-16-14-87(79)144-82-9-3-47(53-21-61(93(114,115)116)37-62(22-53)94(117,118)119)31-72(82)73-32-48(4-10-83(73)144)54-23-63(95(120,121)122)38-64(24-54)96(123,124)125/h1-44H
InChIKeyIUOLTIVLOCERCA-UHFFFAOYSA-N
XLogP36.35
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002068.42
LogP ≤ 536.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[2,6-bis[4-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis[4-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole?
The IUPAC name of 9-[2,6-bis[4-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole (CID 139313535) is 9-[2,6-bis[4-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole.
What is the SMILES notation for 9-[2,6-bis[4-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole?
The canonical SMILES for 9-[2,6-bis[4-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole is FC(F)(F)c1cc(-c2ccc3c(c2)c2cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc2n3-c2ccncc2-c2cc(C(F)(F)F)cc(-c3cnccc3-n3c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)c2-n2c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)cc(C(F)(F)F)c1.
What is the InChIKey of 9-[2,6-bis[4-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole?
The InChIKey is IUOLTIVLOCERCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H44F39N5/c102-89(103,104)57-17-51(18-58(35-57)90(105,106)107)45-1-7-80-70(29-45)71-30-46(52-19-59(91(108,109)110)36-60(20-52)92(111,112)113)2-8-81(71)143(80)86-13-15-141-43-78(86)76-41-69(101(138,139)140)42-77(88(76)145-84-11-5-49(55-25-65(97(126,127)128)39-66(26-55)98(129,130)131)33-74(84)75-34-50(6-12-85(75)145)56-27-67(99(132,133)134)40-68(28-56)100(135,136)137)79-44-142-16-14-87(79)144-82-9-3-47(53-21-61(93(114,115)116)37-62(22-53)94(117,118)119)31-72(82)73-32-48(4-10-83(73)144)54-23-63(95(120,121)122)38-64(24-54)96(123,124)125/h1-44H.
What are the key properties of 9-[2,6-bis[4-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole?
9-[2,6-bis[4-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole has a molecular weight of 2068.42 g/mol, XLogP of 36.35, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,6-bis[4-[3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis[3,5-bis(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 139313535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).