5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole

C332H224N38O2S2 — CID 159746614

IUPAC5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccccc1-c1c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cccc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccccc2-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cccc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cccc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3-c3ccccc3-n3c4ccccc4c4c5oc6ccccc6c5ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c3-c3ccccc3-n3c4ccccc4c4c5sc6ccccc6c5ccc43)n2)cc1
InChIInChI=1S/C72H54N16.C70H50N4.C64H38N4O2.C64H38N4S2.C62H44N10/c1-39-73-40(2)78-68(77-39)49-26-30-62-55(34-49)56-35-50(69-79-41(3)74-42(4)80-69)27-31-63(56)87(62)61-24-16-15-22-53(61)67-54(72-85-59(47-18-11-9-12-19-47)38-60(86-72)48-20-13-10-14-21-48)23-17-25-66(67)88-64-32-28-51(70-81-43(5)75-44(6)82-70)36-57(64)58-37-52(29-33-65(58)88)71-83-45(7)76-46(8)84-71;1-69(2)53-32-16-11-26-45(53)47-38-40-61-64(66(47)69)50-29-14-19-35-58(50)73(61)57-34-18-13-28-49(57)63-52(68-71-55(43-22-7-5-8-23-43)42-56(72-68)44-24-9-6-10-25-44)31-21-37-60(63)74-59-36-20-15-30-51(59)65-62(74)41-39-48-46-27-12-17-33-54(46)70(3,4)67(48)65;2*1-3-18-39(19-4-1)49-38-50(40-20-5-2-6-21-40)66-64(65-49)48-27-17-31-54(68-53-30-14-9-26-47(53)61-56(68)37-35-44-42-23-11-16-33-58(42)70-63(44)61)59(48)45-24-7-12-28-51(45)67-52-29-13-8-25-46(52)60-55(67)36-34-43-41-22-10-15-32-57(41)69-62(43)60;1-37-63-38(2)66-60(65-37)43-30-32-56-49(34-43)45-22-11-14-26-53(45)71(56)55-28-16-13-24-47(55)59-48(62-69-51(41-18-7-5-8-19-41)36-52(70-62)42-20-9-6-10-21-42)25-17-29-58(59)72-54-27-15-12-23-46(54)50-35-44(31-33-57(50)72)61-67-39(3)64-40(4)68-61/h9-38H,1-8H3;5-42H,1-4H3;2*1-38H;5-36H,1-4H3
InChIKeyNDCPRXYKTHJBRC-UHFFFAOYSA-N
MW4841.84 g/mol
LogP82.65
Rot. Bonds36

About 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole

5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole (PubChem CID 159746614) has the molecular formula C332H224N38O2S2 and a molecular weight of 4841.84 g/mol. Its IUPAC name is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
PubChem CID159746614
Molecular FormulaC332H224N38O2S2
Molecular Weight4841.84 g/mol
Exact Mass4837.80
IUPAC Name5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccccc1-c1c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cccc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccccc2-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cccc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cccc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3-c3ccccc3-n3c4ccccc4c4c5oc6ccccc6c5ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c3-c3ccccc3-n3c4ccccc4c4c5sc6ccccc6c5ccc43)n2)cc1
InChIInChI=1S/C72H54N16.C70H50N4.C64H38N4O2.C64H38N4S2.C62H44N10/c1-39-73-40(2)78-68(77-39)49-26-30-62-55(34-49)56-35-50(69-79-41(3)74-42(4)80-69)27-31-63(56)87(62)61-24-16-15-22-53(61)67-54(72-85-59(47-18-11-9-12-19-47)38-60(86-72)48-20-13-10-14-21-48)23-17-25-66(67)88-64-32-28-51(70-81-43(5)75-44(6)82-70)36-57(64)58-37-52(29-33-65(58)88)71-83-45(7)76-46(8)84-71;1-69(2)53-32-16-11-26-45(53)47-38-40-61-64(66(47)69)50-29-14-19-35-58(50)73(61)57-34-18-13-28-49(57)63-52(68-71-55(43-22-7-5-8-23-43)42-56(72-68)44-24-9-6-10-25-44)31-21-37-60(63)74-59-36-20-15-30-51(59)65-62(74)41-39-48-46-27-12-17-33-54(46)70(3,4)67(48)65;2*1-3-18-39(19-4-1)49-38-50(40-20-5-2-6-21-40)66-64(65-49)48-27-17-31-54(68-53-30-14-9-26-47(53)61-56(68)37-35-44-42-23-11-16-33-58(42)70-63(44)61)59(48)45-24-7-12-28-51(45)67-52-29-13-8-25-46(52)60-55(67)36-34-43-41-22-10-15-32-57(41)69-62(43)60;1-37-63-38(2)66-60(65-37)43-30-32-56-49(34-43)45-22-11-14-26-53(45)71(56)55-28-16-13-24-47(55)59-48(62-69-51(41-18-7-5-8-19-41)36-52(70-62)42-20-9-6-10-21-42)25-17-29-58(59)72-54-27-15-12-23-46(54)50-35-44(31-33-57(50)72)61-67-39(3)64-40(4)68-61/h9-38H,1-8H3;5-42H,1-4H3;2*1-38H;5-36H,1-4H3
InChIKeyNDCPRXYKTHJBRC-UHFFFAOYSA-N
XLogP82.65
TPSA436.50 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds36
Heavy Atoms374
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004841.84
LogP ≤ 582.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole?
The IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole (CID 159746614) is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole is CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccccc1-c1c(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cccc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccccc2-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cccc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccccc2-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cccc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3-c3ccccc3-n3c4ccccc4c4c5oc6ccccc6c5ccc43)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c3-c3ccccc3-n3c4ccccc4c4c5sc6ccccc6c5ccc43)n2)cc1.
What is the InChIKey of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole?
The InChIKey is NDCPRXYKTHJBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H54N16.C70H50N4.C64H38N4O2.C64H38N4S2.C62H44N10/c1-39-73-40(2)78-68(77-39)49-26-30-62-55(34-49)56-35-50(69-79-41(3)74-42(4)80-69)27-31-63(56)87(62)61-24-16-15-22-53(61)67-54(72-85-59(47-18-11-9-12-19-47)38-60(86-72)48-20-13-10-14-21-48)23-17-25-66(67)88-64-32-28-51(70-81-43(5)75-44(6)82-70)36-57(64)58-37-52(29-33-65(58)88)71-83-45(7)76-46(8)84-71;1-69(2)53-32-16-11-26-45(53)47-38-40-61-64(66(47)69)50-29-14-19-35-58(50)73(61)57-34-18-13-28-49(57)63-52(68-71-55(43-22-7-5-8-23-43)42-56(72-68)44-24-9-6-10-25-44)31-21-37-60(63)74-59-36-20-15-30-51(59)65-62(74)41-39-48-46-27-12-17-33-54(46)70(3,4)67(48)65;2*1-3-18-39(19-4-1)49-38-50(40-20-5-2-6-21-40)66-64(65-49)48-27-17-31-54(68-53-30-14-9-26-47(53)61-56(68)37-35-44-42-23-11-16-33-58(42)70-63(44)61)59(48)45-24-7-12-28-51(45)67-52-29-13-8-25-46(52)60-55(67)36-34-43-41-22-10-15-32-57(41)69-62(43)60;1-37-63-38(2)66-60(65-37)43-30-32-56-49(34-43)45-22-11-14-26-53(45)71(56)55-28-16-13-24-47(55)59-48(62-69-51(41-18-7-5-8-19-41)36-52(70-62)42-20-9-6-10-21-42)25-17-29-58(59)72-54-27-15-12-23-46(54)50-35-44(31-33-57(50)72)61-67-39(3)64-40(4)68-61/h9-38H,1-8H3;5-42H,1-4H3;2*1-38H;5-36H,1-4H3.
What are the key properties of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole?
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole has a molecular weight of 4841.84 g/mol, XLogP of 82.65, 36 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;3-(4,6-dimethyl-1,3,5-triazin-2-yl)-9-[2-[2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-6-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 159746614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).