9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(6-phenyl-3-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole

C284H172F12N24 — CID 160746775

IUPAC9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(6-phenyl-3-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole
SMILES[C-]#[N+]c1cccc(-c2cc(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)c(C(F)(F)F)c(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)c2)c1.[C-]#[N+]c1cccc(-c2cc(-n3c4ccc(-c5cccc(-c6ccccc6)n5)cc4c4cc(-c5cccc(-c6ccccc6)n5)ccc43)c(C(F)(F)F)c(-n3c4ccc(-c5cccc(-c6ccccc6)n5)cc4c4cc(-c5cccc(-c6ccccc6)n5)ccc43)c2)c1.[C-]#[N+]c1cccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)c(C(F)(F)F)c(-n3c4ccccc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)c2)c1.[C-]#[N+]c1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c2)c1
InChIInChI=1S/2C82H50F3N7.2C60H36F3N5/c1-86-62-28-14-27-56(45-62)61-50-79(91-75-41-37-57(71-33-15-29-67(87-71)52-19-6-2-7-20-52)46-63(75)64-47-58(38-42-76(64)91)72-34-16-30-68(88-72)53-21-8-3-9-22-53)81(82(83,84)85)80(51-61)92-77-43-39-59(73-35-17-31-69(89-73)54-23-10-4-11-24-54)48-65(77)66-49-60(40-44-78(66)92)74-36-18-32-70(90-74)55-25-12-5-13-26-55;1-86-62-28-14-27-56(45-62)61-50-79(91-75-46-57(71-33-15-29-67(87-71)52-19-6-2-7-20-52)37-41-63(75)64-42-38-58(47-76(64)91)72-34-16-30-68(88-72)53-21-8-3-9-22-53)81(82(83,84)85)80(51-61)92-77-48-59(73-35-17-31-69(89-73)54-23-10-4-11-24-54)39-43-65(77)66-44-40-60(49-78(66)92)74-36-18-32-70(90-74)55-25-12-5-13-26-55;1-64-46-18-12-17-40(31-46)45-34-57(67-53-21-10-8-19-47(53)49-32-41(25-29-55(49)67)43-23-27-51(65-36-43)38-13-4-2-5-14-38)59(60(61,62)63)58(35-45)68-54-22-11-9-20-48(54)50-33-42(26-30-56(50)68)44-24-28-52(66-37-44)39-15-6-3-7-16-39;1-64-46-18-12-17-40(31-46)45-34-57(67-53-21-10-8-19-47(53)49-27-23-41(32-55(49)67)43-25-29-51(65-36-43)38-13-4-2-5-14-38)59(60(61,62)63)58(35-45)68-54-22-11-9-20-48(54)50-28-24-42(33-56(50)68)44-26-30-52(66-37-44)39-15-6-3-7-16-39/h2*2-51H;2*2-37H
InChIKeyRWHCSYNMYNMNMP-UHFFFAOYSA-N
MW4148.64 g/mol
LogP77.22
Rot. Bonds36

About 9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(6-phenyl-3-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole

9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(6-phenyl-3-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole (PubChem CID 160746775) has the molecular formula C284H172F12N24 and a molecular weight of 4148.64 g/mol. Its IUPAC name is 9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(6-phenyl-3-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole.

Molecular Properties

Compound Name9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(6-phenyl-3-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole
PubChem CID160746775
Molecular FormulaC284H172F12N24
Molecular Weight4148.64 g/mol
Exact Mass4145.40
IUPAC Name9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(6-phenyl-3-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole
SMILES[C-]#[N+]c1cccc(-c2cc(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)c(C(F)(F)F)c(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)c2)c1.[C-]#[N+]c1cccc(-c2cc(-n3c4ccc(-c5cccc(-c6ccccc6)n5)cc4c4cc(-c5cccc(-c6ccccc6)n5)ccc43)c(C(F)(F)F)c(-n3c4ccc(-c5cccc(-c6ccccc6)n5)cc4c4cc(-c5cccc(-c6ccccc6)n5)ccc43)c2)c1.[C-]#[N+]c1cccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)c(C(F)(F)F)c(-n3c4ccccc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)c2)c1.[C-]#[N+]c1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c2)c1
InChIInChI=1S/2C82H50F3N7.2C60H36F3N5/c1-86-62-28-14-27-56(45-62)61-50-79(91-75-41-37-57(71-33-15-29-67(87-71)52-19-6-2-7-20-52)46-63(75)64-47-58(38-42-76(64)91)72-34-16-30-68(88-72)53-21-8-3-9-22-53)81(82(83,84)85)80(51-61)92-77-43-39-59(73-35-17-31-69(89-73)54-23-10-4-11-24-54)48-65(77)66-49-60(40-44-78(66)92)74-36-18-32-70(90-74)55-25-12-5-13-26-55;1-86-62-28-14-27-56(45-62)61-50-79(91-75-46-57(71-33-15-29-67(87-71)52-19-6-2-7-20-52)37-41-63(75)64-42-38-58(47-76(64)91)72-34-16-30-68(88-72)53-21-8-3-9-22-53)81(82(83,84)85)80(51-61)92-77-48-59(73-35-17-31-69(89-73)54-23-10-4-11-24-54)39-43-65(77)66-44-40-60(49-78(66)92)74-36-18-32-70(90-74)55-25-12-5-13-26-55;1-64-46-18-12-17-40(31-46)45-34-57(67-53-21-10-8-19-47(53)49-32-41(25-29-55(49)67)43-23-27-51(65-36-43)38-13-4-2-5-14-38)59(60(61,62)63)58(35-45)68-54-22-11-9-20-48(54)50-33-42(26-30-56(50)68)44-24-28-52(66-37-44)39-15-6-3-7-16-39;1-64-46-18-12-17-40(31-46)45-34-57(67-53-21-10-8-19-47(53)49-27-23-41(32-55(49)67)43-25-29-51(65-36-43)38-13-4-2-5-14-38)59(60(61,62)63)58(35-45)68-54-22-11-9-20-48(54)50-28-24-42(33-56(50)68)44-26-30-52(66-37-44)39-15-6-3-7-16-39/h2*2-51H;2*2-37H
InChIKeyRWHCSYNMYNMNMP-UHFFFAOYSA-N
XLogP77.22
TPSA211.56 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds36
Heavy Atoms320
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004148.64
LogP ≤ 577.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(6-phenyl-3-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole with MolForge

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Related Compounds

9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole
CID 155646865
9-[2-(3-isocyanophenyl)-4-[2-(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)phenyl]-2-(6-phenyl-2-pyridinyl)carbazole
CID 155646802
2,6-bis[3,6-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-4-(3-isocyanophenyl)benzonitrile
CID 155646657
4,5-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(3-isocyanophenyl)benzonitrile;3-[4-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-isocyano-5-[3-(5-phenyl-2-pyridinyl)-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]benzonitrile;2-(3-cyanophenyl)-4,5-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 159083792
9-[4-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(3-isocyanophenyl)-5-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole
CID 155647075
2,6-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-isocyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155654169
2,6-bis[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-4-[3-isocyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155654205
4-(3-isocyanophenyl)-2,5-bis[3-(6-phenyl-2-pyridinyl)carbazol-9-yl]benzonitrile
CID 155647013
4,5-bis[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-[3-isocyano-5-(trifluoromethyl)phenyl]benzonitrile
CID 155654254
9-[4-(2,3,4,5,6-pentafluorophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole
CID 154960852
9-[3-[2,7-bis(6-phenyl-3-pyridinyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-2,7-bis(6-phenyl-3-pyridinyl)carbazole
CID 162571794
2-[9-[3-[2-(2-cyanophenyl)-7-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-7-(2-isocyanophenyl)carbazol-2-yl]benzonitrile;2-[9-[3-[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile;3-[9-[5-(4,6-dimethyl-1,3,5-triazin-2-yl)-3-[2-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-2-yl]benzonitrile;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(3-isocyanophenyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]carbazol-3-yl]benzonitrile
CID 158152568

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(6-phenyl-3-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole?
The IUPAC name of 9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(6-phenyl-3-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole (CID 160746775) is 9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(6-phenyl-3-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole.
What is the SMILES notation for 9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(6-phenyl-3-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole?
The canonical SMILES for 9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(6-phenyl-3-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole is [C-]#[N+]c1cccc(-c2cc(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)c(C(F)(F)F)c(-n3c4cc(-c5cccc(-c6ccccc6)n5)ccc4c4ccc(-c5cccc(-c6ccccc6)n5)cc43)c2)c1.[C-]#[N+]c1cccc(-c2cc(-n3c4ccc(-c5cccc(-c6ccccc6)n5)cc4c4cc(-c5cccc(-c6ccccc6)n5)ccc43)c(C(F)(F)F)c(-n3c4ccc(-c5cccc(-c6ccccc6)n5)cc4c4cc(-c5cccc(-c6ccccc6)n5)ccc43)c2)c1.[C-]#[N+]c1cccc(-c2cc(-n3c4ccccc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)c(C(F)(F)F)c(-n3c4ccccc4c4cc(-c5ccc(-c6ccccc6)nc5)ccc43)c2)c1.[C-]#[N+]c1cccc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c(C(F)(F)F)c(-n3c4ccccc4c4ccc(-c5ccc(-c6ccccc6)nc5)cc43)c2)c1.
What is the InChIKey of 9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(6-phenyl-3-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole?
The InChIKey is RWHCSYNMYNMNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C82H50F3N7.2C60H36F3N5/c1-86-62-28-14-27-56(45-62)61-50-79(91-75-41-37-57(71-33-15-29-67(87-71)52-19-6-2-7-20-52)46-63(75)64-47-58(38-42-76(64)91)72-34-16-30-68(88-72)53-21-8-3-9-22-53)81(82(83,84)85)80(51-61)92-77-43-39-59(73-35-17-31-69(89-73)54-23-10-4-11-24-54)48-65(77)66-49-60(40-44-78(66)92)74-36-18-32-70(90-74)55-25-12-5-13-26-55;1-86-62-28-14-27-56(45-62)61-50-79(91-75-46-57(71-33-15-29-67(87-71)52-19-6-2-7-20-52)37-41-63(75)64-42-38-58(47-76(64)91)72-34-16-30-68(88-72)53-21-8-3-9-22-53)81(82(83,84)85)80(51-61)92-77-48-59(73-35-17-31-69(89-73)54-23-10-4-11-24-54)39-43-65(77)66-44-40-60(49-78(66)92)74-36-18-32-70(90-74)55-25-12-5-13-26-55;1-64-46-18-12-17-40(31-46)45-34-57(67-53-21-10-8-19-47(53)49-32-41(25-29-55(49)67)43-23-27-51(65-36-43)38-13-4-2-5-14-38)59(60(61,62)63)58(35-45)68-54-22-11-9-20-48(54)50-33-42(26-30-56(50)68)44-24-28-52(66-37-44)39-15-6-3-7-16-39;1-64-46-18-12-17-40(31-46)45-34-57(67-53-21-10-8-19-47(53)49-27-23-41(32-55(49)67)43-25-29-51(65-36-43)38-13-4-2-5-14-38)59(60(61,62)63)58(35-45)68-54-22-11-9-20-48(54)50-28-24-42(33-56(50)68)44-26-30-52(66-37-44)39-15-6-3-7-16-39/h2*2-51H;2*2-37H.
What are the key properties of 9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(6-phenyl-3-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole?
9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(6-phenyl-3-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole has a molecular weight of 4148.64 g/mol, XLogP of 77.22, 36 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-2,7-bis(6-phenyl-2-pyridinyl)carbazole;9-[3-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-5-(3-isocyanophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(6-phenyl-2-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-2-(6-phenyl-3-pyridinyl)carbazole;9-[5-(3-isocyanophenyl)-3-[3-(6-phenyl-3-pyridinyl)carbazol-9-yl]-2-(trifluoromethyl)phenyl]-3-(6-phenyl-3-pyridinyl)carbazole is sourced from PubChem (CID 160746775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).