5-carbazol-9-yl-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-2-isocyanobenzonitrile;2,3-di(carbazol-9-yl)-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-6-isocyanobenzonitrile;3-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(3,6-dimethylcarbazol-9-yl)-5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-dimethylcarbazole

C288H173N35 — CID 162209074

IUPAC5-carbazol-9-yl-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-2-isocyanobenzonitrile;2,3-di(carbazol-9-yl)-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-6-isocyanobenzonitrile;3-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(3,6-dimethylcarbazol-9-yl)-5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)n2)cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4c(-n5c6ccccc6c6ccccc65)cc([N+]#[C-])c([N+]#[C-])c4-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1C#N.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4c(-n5c6ccccc6c6ccccc65)cc([N+]#[C-])c([N+]#[C-])c4-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3ccccc32)cc1C#N.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7cc(-n8c9ccccc9c9ccccc98)cc(-n8c9ccccc9c9ccccc98)c7)n6)ccc54)cc3)n2)cc1
InChIInChI=1S/C76H41N9.C76H53N9.C72H45N9.C64H34N8/c1-78-58-43-71(75(84-65-36-18-8-26-51(65)52-27-9-19-37-66(52)84)74(57(58)45-77)83-63-34-16-6-24-49(63)50-25-7-17-35-64(50)83)82-62-33-15-12-30-55(62)56-42-46(40-41-69(56)82)72-70(81-60-31-13-4-22-47(60)48-23-5-14-32-61(48)81)44-59(79-2)73(80-3)76(72)85-67-38-20-10-28-53(67)54-29-11-21-39-68(54)85;1-46-24-33-66-60(38-46)61-39-47(2)25-34-67(61)84(66)57-42-55(43-58(45-57)85-68-35-26-48(3)40-62(68)63-41-49(4)27-36-69(63)85)76-81-73(52-20-12-7-13-21-52)80-75(82-76)54-30-37-70-64(44-54)59-22-14-15-23-65(59)83(70)56-31-28-53(29-32-56)74-78-71(50-16-8-5-9-17-50)77-72(79-74)51-18-10-6-11-19-51;1-4-20-46(21-5-1)67-73-68(47-22-6-2-7-23-47)75-70(74-67)49-36-39-52(40-37-49)79-65-35-19-14-30-59(65)60-44-50(38-41-66(60)79)71-76-69(48-24-8-3-9-25-48)77-72(78-71)51-42-53(80-61-31-15-10-26-55(61)56-27-11-16-32-62(56)80)45-54(43-51)81-63-33-17-12-28-57(63)58-29-13-18-34-64(58)81;1-66-49-36-60(59(35-40(49)38-65)69-51-25-11-4-18-41(51)42-19-5-12-26-52(42)69)70-55-29-15-10-24-47(55)48-34-39(32-33-58(48)70)62-61(71-53-27-13-6-20-43(53)44-21-7-14-28-54(44)71)37-50(67-2)63(68-3)64(62)72-56-30-16-8-22-45(56)46-23-9-17-31-57(46)72/h4-44H;5-45H,1-4H3;1-45H;4-37H
InChIKeyZSPDVRZPVVBDGR-UHFFFAOYSA-N
MW4123.80 g/mol
LogP73.56
Rot. Bonds29

About 5-carbazol-9-yl-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-2-isocyanobenzonitrile;2,3-di(carbazol-9-yl)-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-6-isocyanobenzonitrile;3-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(3,6-dimethylcarbazol-9-yl)-5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-dimethylcarbazole

5-carbazol-9-yl-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-2-isocyanobenzonitrile;2,3-di(carbazol-9-yl)-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-6-isocyanobenzonitrile;3-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(3,6-dimethylcarbazol-9-yl)-5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-dimethylcarbazole (PubChem CID 162209074) has the molecular formula C288H173N35 and a molecular weight of 4123.80 g/mol. Its IUPAC name is 5-carbazol-9-yl-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-2-isocyanobenzonitrile;2,3-di(carbazol-9-yl)-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-6-isocyanobenzonitrile;3-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(3,6-dimethylcarbazol-9-yl)-5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-dimethylcarbazole.

Molecular Properties

Compound Name5-carbazol-9-yl-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-2-isocyanobenzonitrile;2,3-di(carbazol-9-yl)-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-6-isocyanobenzonitrile;3-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(3,6-dimethylcarbazol-9-yl)-5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-dimethylcarbazole
PubChem CID162209074
Molecular FormulaC288H173N35
Molecular Weight4123.80 g/mol
Exact Mass4120.46
IUPAC Name5-carbazol-9-yl-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-2-isocyanobenzonitrile;2,3-di(carbazol-9-yl)-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-6-isocyanobenzonitrile;3-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(3,6-dimethylcarbazol-9-yl)-5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-dimethylcarbazole
SMILESCc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)n2)cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4c(-n5c6ccccc6c6ccccc65)cc([N+]#[C-])c([N+]#[C-])c4-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1C#N.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4c(-n5c6ccccc6c6ccccc65)cc([N+]#[C-])c([N+]#[C-])c4-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3ccccc32)cc1C#N.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7cc(-n8c9ccccc9c9ccccc98)cc(-n8c9ccccc9c9ccccc98)c7)n6)ccc54)cc3)n2)cc1
InChIInChI=1S/C76H41N9.C76H53N9.C72H45N9.C64H34N8/c1-78-58-43-71(75(84-65-36-18-8-26-51(65)52-27-9-19-37-66(52)84)74(57(58)45-77)83-63-34-16-6-24-49(63)50-25-7-17-35-64(50)83)82-62-33-15-12-30-55(62)56-42-46(40-41-69(56)82)72-70(81-60-31-13-4-22-47(60)48-23-5-14-32-61(48)81)44-59(79-2)73(80-3)76(72)85-67-38-20-10-28-53(67)54-29-11-21-39-68(54)85;1-46-24-33-66-60(38-46)61-39-47(2)25-34-67(61)84(66)57-42-55(43-58(45-57)85-68-35-26-48(3)40-62(68)63-41-49(4)27-36-69(63)85)76-81-73(52-20-12-7-13-21-52)80-75(82-76)54-30-37-70-64(44-54)59-22-14-15-23-65(59)83(70)56-31-28-53(29-32-56)74-78-71(50-16-8-5-9-17-50)77-72(79-74)51-18-10-6-11-19-51;1-4-20-46(21-5-1)67-73-68(47-22-6-2-7-23-47)75-70(74-67)49-36-39-52(40-37-49)79-65-35-19-14-30-59(65)60-44-50(38-41-66(60)79)71-76-69(48-24-8-3-9-25-48)77-72(78-71)51-42-53(80-61-31-15-10-26-55(61)56-27-11-16-32-62(56)80)45-54(43-51)81-63-33-17-12-28-57(63)58-29-13-18-34-64(58)81;1-66-49-36-60(59(35-40(49)38-65)69-51-25-11-4-18-41(51)42-19-5-12-26-52(42)69)70-55-29-15-10-24-47(55)48-34-39(32-33-58(48)70)62-61(71-53-27-13-6-20-43(53)44-21-7-14-28-54(44)71)37-50(67-2)63(68-3)64(62)72-56-30-16-8-22-45(56)46-23-9-17-31-57(46)72/h4-44H;5-45H,1-4H3;1-45H;4-37H
InChIKeyZSPDVRZPVVBDGR-UHFFFAOYSA-N
XLogP73.56
TPSA302.37 Ų
H-Bond Donors
H-Bond Acceptors29
Rotatable Bonds29
Heavy Atoms323
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004123.80
LogP ≤ 573.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1029

Analyze 5-carbazol-9-yl-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-2-isocyanobenzonitrile;2,3-di(carbazol-9-yl)-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-6-isocyanobenzonitrile;3-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(3,6-dimethylcarbazol-9-yl)-5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-dimethylcarbazole with MolForge

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Related Compounds

2-[9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(2-isocyanophenyl)carbazol-3-yl]benzonitrile
CID 161320065
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyano-2-(5-phenylindolo[3,2-b]carbazol-11-yl)benzonitrile
CID 162426491
4-[9-[2,6-bis(4-carbazol-9-ylphenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-5-isocyanobenzene-1,3-dicarbonitrile
CID 158031666
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-isocyano-5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzonitrile
CID 140731437
2,6-bis[3-(2-cyanophenyl)-6-(2-isocyanophenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[2-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile;4-(2,6-difluorophenyl)-2,6-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 157118113
3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;2,3,5,6-tetra(carbazol-9-yl)benzonitrile;2,3,4,6-tetra(carbazol-9-yl)-5-isocyanobenzonitrile
CID 158144130
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 134320909
3-carbazol-9-yl-9-[4-(3-carbazol-9-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole;3-carbazol-9-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenoxazine;2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-isocyanobenzonitrile
CID 159860855
2,3,4-tri(carbazol-9-yl)-5-isocyano-6-(9-phenylcarbazol-3-yl)benzonitrile
CID 165007791
2,3,4,5-tetra(carbazol-9-yl)-6-isocyanobenzonitrile;2,3,4,5-tetrakis(3,6-dimethylcarbazol-9-yl)-6-isocyanobenzonitrile;2,4,6-tris(3,6-diphenylcarbazol-9-yl)-3-isocyanobenzonitrile
CID 157429553
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 118345196
2-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile;9-[2-[4-[3,6-bis(4-methylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-(2-isocyanophenyl)phenyl]-3,6-bis(4-methylphenyl)carbazole;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 157125901

Frequently Asked Questions

What is the IUPAC name of 5-carbazol-9-yl-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-2-isocyanobenzonitrile;2,3-di(carbazol-9-yl)-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-6-isocyanobenzonitrile;3-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(3,6-dimethylcarbazol-9-yl)-5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-dimethylcarbazole?
The IUPAC name of 5-carbazol-9-yl-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-2-isocyanobenzonitrile;2,3-di(carbazol-9-yl)-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-6-isocyanobenzonitrile;3-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(3,6-dimethylcarbazol-9-yl)-5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-dimethylcarbazole (CID 162209074) is 5-carbazol-9-yl-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-2-isocyanobenzonitrile;2,3-di(carbazol-9-yl)-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-6-isocyanobenzonitrile;3-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(3,6-dimethylcarbazol-9-yl)-5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-dimethylcarbazole.
What is the SMILES notation for 5-carbazol-9-yl-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-2-isocyanobenzonitrile;2,3-di(carbazol-9-yl)-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-6-isocyanobenzonitrile;3-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(3,6-dimethylcarbazol-9-yl)-5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-dimethylcarbazole?
The canonical SMILES for 5-carbazol-9-yl-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-2-isocyanobenzonitrile;2,3-di(carbazol-9-yl)-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-6-isocyanobenzonitrile;3-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(3,6-dimethylcarbazol-9-yl)-5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-dimethylcarbazole is Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)n2)cc(-n2c3ccc(C)cc3c3cc(C)ccc32)c1.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4c(-n5c6ccccc6c6ccccc65)cc([N+]#[C-])c([N+]#[C-])c4-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1C#N.[C-]#[N+]c1cc(-n2c3ccccc3c3cc(-c4c(-n5c6ccccc6c6ccccc65)cc([N+]#[C-])c([N+]#[C-])c4-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3ccccc32)cc1C#N.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7cc(-n8c9ccccc9c9ccccc98)cc(-n8c9ccccc9c9ccccc98)c7)n6)ccc54)cc3)n2)cc1.
What is the InChIKey of 5-carbazol-9-yl-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-2-isocyanobenzonitrile;2,3-di(carbazol-9-yl)-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-6-isocyanobenzonitrile;3-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(3,6-dimethylcarbazol-9-yl)-5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-dimethylcarbazole?
The InChIKey is ZSPDVRZPVVBDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H41N9.C76H53N9.C72H45N9.C64H34N8/c1-78-58-43-71(75(84-65-36-18-8-26-51(65)52-27-9-19-37-66(52)84)74(57(58)45-77)83-63-34-16-6-24-49(63)50-25-7-17-35-64(50)83)82-62-33-15-12-30-55(62)56-42-46(40-41-69(56)82)72-70(81-60-31-13-4-22-47(60)48-23-5-14-32-61(48)81)44-59(79-2)73(80-3)76(72)85-67-38-20-10-28-53(67)54-29-11-21-39-68(54)85;1-46-24-33-66-60(38-46)61-39-47(2)25-34-67(61)84(66)57-42-55(43-58(45-57)85-68-35-26-48(3)40-62(68)63-41-49(4)27-36-69(63)85)76-81-73(52-20-12-7-13-21-52)80-75(82-76)54-30-37-70-64(44-54)59-22-14-15-23-65(59)83(70)56-31-28-53(29-32-56)74-78-71(50-16-8-5-9-17-50)77-72(79-74)51-18-10-6-11-19-51;1-4-20-46(21-5-1)67-73-68(47-22-6-2-7-23-47)75-70(74-67)49-36-39-52(40-37-49)79-65-35-19-14-30-59(65)60-44-50(38-41-66(60)79)71-76-69(48-24-8-3-9-25-48)77-72(78-71)51-42-53(80-61-31-15-10-26-55(61)56-27-11-16-32-62(56)80)45-54(43-51)81-63-33-17-12-28-57(63)58-29-13-18-34-64(58)81;1-66-49-36-60(59(35-40(49)38-65)69-51-25-11-4-18-41(51)42-19-5-12-26-52(42)69)70-55-29-15-10-24-47(55)48-34-39(32-33-58(48)70)62-61(71-53-27-13-6-20-43(53)44-21-7-14-28-54(44)71)37-50(67-2)63(68-3)64(62)72-56-30-16-8-22-45(56)46-23-9-17-31-57(46)72/h4-44H;5-45H,1-4H3;1-45H;4-37H.
What are the key properties of 5-carbazol-9-yl-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-2-isocyanobenzonitrile;2,3-di(carbazol-9-yl)-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-6-isocyanobenzonitrile;3-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(3,6-dimethylcarbazol-9-yl)-5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-dimethylcarbazole?
5-carbazol-9-yl-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-2-isocyanobenzonitrile;2,3-di(carbazol-9-yl)-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-6-isocyanobenzonitrile;3-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(3,6-dimethylcarbazol-9-yl)-5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-dimethylcarbazole has a molecular weight of 4123.80 g/mol, XLogP of 73.56, 29 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbazol-9-yl-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-2-isocyanobenzonitrile;2,3-di(carbazol-9-yl)-4-[3-[2,6-di(carbazol-9-yl)-3,4-diisocyanophenyl]carbazol-9-yl]-6-isocyanobenzonitrile;3-[4-[3,5-di(carbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;9-[3-(3,6-dimethylcarbazol-9-yl)-5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,6-dimethylcarbazole is sourced from PubChem (CID 162209074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).