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

C107H92F3N5 — CID 139313530

IUPAC9-[2,6-bis[4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
SMILESCc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2ccncc2-c2cc(C(F)(F)F)cc(-c3cnccc3-n3c4ccc(-c5c(C)cc(C)cc5C)cc4c4cc(-c5c(C)cc(C)cc5C)ccc43)c2-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(C)c1
InChIInChI=1S/C107H92F3N5/c1-57-35-63(7)100(64(8)36-57)75-19-25-92-82(47-75)83-48-76(101-65(9)37-58(2)38-66(101)10)20-26-93(83)113(92)98-31-33-111-55-90(98)88-53-81(107(108,109)110)54-89(106(88)115-96-29-23-79(104-71(15)43-61(5)44-72(104)16)51-86(96)87-52-80(24-30-97(87)115)105-73(17)45-62(6)46-74(105)18)91-56-112-34-32-99(91)114-94-27-21-77(102-67(11)39-59(3)40-68(102)12)49-84(94)85-50-78(22-28-95(85)114)103-69(13)41-60(4)42-70(103)14/h19-56H,1-18H3
InChIKeyYIVCQFWLJZPRFF-UHFFFAOYSA-N
MW1504.94 g/mol
LogP29.67
Rot. Bonds11

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

9-[2,6-bis[4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole (PubChem CID 139313530) has the molecular formula C107H92F3N5 and a molecular weight of 1504.94 g/mol. Its IUPAC name is 9-[2,6-bis[4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole.

Molecular Properties

Compound Name9-[2,6-bis[4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
PubChem CID139313530
Molecular FormulaC107H92F3N5
Molecular Weight1504.94 g/mol
Exact Mass1503.73
IUPAC Name9-[2,6-bis[4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
SMILESCc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2ccncc2-c2cc(C(F)(F)F)cc(-c3cnccc3-n3c4ccc(-c5c(C)cc(C)cc5C)cc4c4cc(-c5c(C)cc(C)cc5C)ccc43)c2-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(C)c1
InChIInChI=1S/C107H92F3N5/c1-57-35-63(7)100(64(8)36-57)75-19-25-92-82(47-75)83-48-76(101-65(9)37-58(2)38-66(101)10)20-26-93(83)113(92)98-31-33-111-55-90(98)88-53-81(107(108,109)110)54-89(106(88)115-96-29-23-79(104-71(15)43-61(5)44-72(104)16)51-86(96)87-52-80(24-30-97(87)115)105-73(17)45-62(6)46-74(105)18)91-56-112-34-32-99(91)114-94-27-21-77(102-67(11)39-59(3)40-68(102)12)49-84(94)85-50-78(22-28-95(85)114)103-69(13)41-60(4)42-70(103)14/h19-56H,1-18H3
InChIKeyYIVCQFWLJZPRFF-UHFFFAOYSA-N
XLogP29.67
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001504.94
LogP ≤ 529.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 9-[2,6-bis[4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole?
The IUPAC name of 9-[2,6-bis[4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole (CID 139313530) is 9-[2,6-bis[4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole.
What is the SMILES notation for 9-[2,6-bis[4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole?
The canonical SMILES for 9-[2,6-bis[4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole is Cc1cc(C)c(-c2ccc3c(c2)c2cc(-c4c(C)cc(C)cc4C)ccc2n3-c2ccncc2-c2cc(C(F)(F)F)cc(-c3cnccc3-n3c4ccc(-c5c(C)cc(C)cc5C)cc4c4cc(-c5c(C)cc(C)cc5C)ccc43)c2-n2c3ccc(-c4c(C)cc(C)cc4C)cc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(C)c1.
What is the InChIKey of 9-[2,6-bis[4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole?
The InChIKey is YIVCQFWLJZPRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C107H92F3N5/c1-57-35-63(7)100(64(8)36-57)75-19-25-92-82(47-75)83-48-76(101-65(9)37-58(2)38-66(101)10)20-26-93(83)113(92)98-31-33-111-55-90(98)88-53-81(107(108,109)110)54-89(106(88)115-96-29-23-79(104-71(15)43-61(5)44-72(104)16)51-86(96)87-52-80(24-30-97(87)115)105-73(17)45-62(6)46-74(105)18)91-56-112-34-32-99(91)114-94-27-21-77(102-67(11)39-59(3)40-68(102)12)49-84(94)85-50-78(22-28-95(85)114)103-69(13)41-60(4)42-70(103)14/h19-56H,1-18H3.
What are the key properties of 9-[2,6-bis[4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole?
9-[2,6-bis[4-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole has a molecular weight of 1504.94 g/mol, XLogP of 29.67, 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(2,4,6-trimethylphenyl)carbazol-9-yl]-3-pyridinyl]-4-(trifluoromethyl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole is sourced from PubChem (CID 139313530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).