5-[2-(3-isocyanocarbazol-9-yl)-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole;2,3,4,5,6-penta(carbazol-9-yl)benzonitrile;2,3,4,5,6-pentakis(pyrido[3,2-b]indol-5-yl)benzonitrile;5-[2,3,6,7,8-pentakis(pyrido[3,2-b]indol-5-yl)dibenzofuran-4-yl]pyrido[3,2-b]indole;5-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]pyrido[4,3-b]indole;2,4,6-tri(carbazol-9-yl)-3,5-bis(3-phenylcarbazol-9-yl)benzonitrile

C420H244N58O — CID 165092743

IUPAC5-[2-(3-isocyanocarbazol-9-yl)-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole;2,3,4,5,6-penta(carbazol-9-yl)benzonitrile;2,3,4,5,6-pentakis(pyrido[3,2-b]indol-5-yl)benzonitrile;5-[2,3,6,7,8-pentakis(pyrido[3,2-b]indol-5-yl)dibenzofuran-4-yl]pyrido[3,2-b]indole;5-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]pyrido[4,3-b]indole;2,4,6-tri(carbazol-9-yl)-3,5-bis(3-phenylcarbazol-9-yl)benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccccc2c2ccccc21.N#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21.N#Cc1c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)c1-n1c2ccccc2c2ncccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)c1-n1c2ccccc2c2ncccc21.c1ccc2c(c1)c1cnccc1n2-c1nc(-n2c3ccccc3c3cnccc32)c(-n2c3ccccc3c3cnccc32)c(-n2c3ccccc3c3cnccc32)c1-n1c2ccccc2c2cnccc21.c1ccc2c(c1)c1ncccc1n2-c1cc2c(oc3c(-n4c5ccccc5c5ncccc54)c(-n4c5ccccc5c5ncccc54)c(-n4c5ccccc5c5ncccc54)cc32)c(-n2c3ccccc3c3ncccc32)c1-n1c2ccccc2c2ncccc21
InChIInChI=1S/C79H48N6.C78H44N12O.C74H42N12.C67H40N6.C62H35N11.C60H35N11/c80-49-64-75(81-65-35-15-7-27-54(65)55-28-8-16-36-66(55)81)77(84-71-41-21-13-33-60(71)62-47-52(43-45-73(62)84)50-23-3-1-4-24-50)79(83-69-39-19-11-31-58(69)59-32-12-20-40-70(59)83)78(76(64)82-67-37-17-9-29-56(67)57-30-10-18-38-68(57)82)85-72-42-22-14-34-61(72)63-48-53(44-46-74(63)85)51-25-5-2-6-26-51;1-7-25-53-45(19-1)67-59(31-13-37-79-67)85(53)65-43-51-52-44-66(86-54-26-8-2-20-46(54)68-60(86)32-14-38-80-68)74(88-56-28-10-4-22-48(56)70-62(88)34-16-40-82-70)76(90-58-30-12-6-24-50(58)72-64(90)36-18-42-84-72)78(52)91-77(51)75(89-57-29-11-5-23-49(57)71-63(89)35-17-41-83-71)73(65)87-55-27-9-3-21-47(55)69-61(87)33-15-39-81-69;1-75-44-36-37-58-51(43-44)45-19-2-8-25-52(45)81(58)69-70(82-53-26-9-3-20-46(53)64-59(82)31-14-38-76-64)72(84-55-28-11-5-22-48(55)66-61(84)33-16-40-78-66)74(86-57-30-13-7-24-50(57)68-63(86)35-18-42-80-68)73(85-56-29-12-6-23-49(56)67-62(85)34-17-41-79-67)71(69)83-54-27-10-4-21-47(54)65-60(83)32-15-39-77-65;68-41-52-63(69-53-31-11-1-21-42(53)43-22-2-12-32-54(43)69)65(71-57-35-15-5-25-46(57)47-26-6-16-36-58(47)71)67(73-61-39-19-9-29-50(61)51-30-10-20-40-62(51)73)66(72-59-37-17-7-27-48(59)49-28-8-18-38-60(49)72)64(52)70-55-33-13-3-23-44(55)45-24-4-14-34-56(45)70;63-36-42-58(69-43-21-6-1-16-37(43)53-48(69)26-11-31-64-53)60(71-45-23-8-3-18-39(45)55-50(71)28-13-33-66-55)62(73-47-25-10-5-20-41(47)57-52(73)30-15-35-68-57)61(72-46-24-9-4-19-40(46)56-51(72)29-14-34-67-56)59(42)70-44-22-7-2-17-38(44)54-49(70)27-12-32-65-54;1-6-16-46-36(11-1)41-31-61-26-21-51(41)67(46)56-57(68-47-17-7-2-12-37(47)42-32-62-27-22-52(42)68)59(70-49-19-9-4-14-39(49)44-34-64-29-24-54(44)70)66-60(71-50-20-10-5-15-40(50)45-35-65-30-25-55(45)71)58(56)69-48-18-8-3-13-38(48)43-33-63-28-23-53(43)69/h1-48H;1-44H;2-43H;1-40H;1-35H;1-35H
InChIKeyWZIFYTDZTHEVSH-UHFFFAOYSA-N
MW6118.98 g/mol
LogP101.32
Rot. Bonds34

About 5-[2-(3-isocyanocarbazol-9-yl)-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole;2,3,4,5,6-penta(carbazol-9-yl)benzonitrile;2,3,4,5,6-pentakis(pyrido[3,2-b]indol-5-yl)benzonitrile;5-[2,3,6,7,8-pentakis(pyrido[3,2-b]indol-5-yl)dibenzofuran-4-yl]pyrido[3,2-b]indole;5-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]pyrido[4,3-b]indole;2,4,6-tri(carbazol-9-yl)-3,5-bis(3-phenylcarbazol-9-yl)benzonitrile

5-[2-(3-isocyanocarbazol-9-yl)-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole;2,3,4,5,6-penta(carbazol-9-yl)benzonitrile;2,3,4,5,6-pentakis(pyrido[3,2-b]indol-5-yl)benzonitrile;5-[2,3,6,7,8-pentakis(pyrido[3,2-b]indol-5-yl)dibenzofuran-4-yl]pyrido[3,2-b]indole;5-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]pyrido[4,3-b]indole;2,4,6-tri(carbazol-9-yl)-3,5-bis(3-phenylcarbazol-9-yl)benzonitrile (PubChem CID 165092743) has the molecular formula C420H244N58O and a molecular weight of 6118.98 g/mol. Its IUPAC name is 5-[2-(3-isocyanocarbazol-9-yl)-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole;2,3,4,5,6-penta(carbazol-9-yl)benzonitrile;2,3,4,5,6-pentakis(pyrido[3,2-b]indol-5-yl)benzonitrile;5-[2,3,6,7,8-pentakis(pyrido[3,2-b]indol-5-yl)dibenzofuran-4-yl]pyrido[3,2-b]indole;5-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]pyrido[4,3-b]indole;2,4,6-tri(carbazol-9-yl)-3,5-bis(3-phenylcarbazol-9-yl)benzonitrile.

Molecular Properties

Compound Name5-[2-(3-isocyanocarbazol-9-yl)-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole;2,3,4,5,6-penta(carbazol-9-yl)benzonitrile;2,3,4,5,6-pentakis(pyrido[3,2-b]indol-5-yl)benzonitrile;5-[2,3,6,7,8-pentakis(pyrido[3,2-b]indol-5-yl)dibenzofuran-4-yl]pyrido[3,2-b]indole;5-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]pyrido[4,3-b]indole;2,4,6-tri(carbazol-9-yl)-3,5-bis(3-phenylcarbazol-9-yl)benzonitrile
PubChem CID165092743
Molecular FormulaC420H244N58O
Molecular Weight6118.98 g/mol
Exact Mass6114.08
IUPAC Name5-[2-(3-isocyanocarbazol-9-yl)-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole;2,3,4,5,6-penta(carbazol-9-yl)benzonitrile;2,3,4,5,6-pentakis(pyrido[3,2-b]indol-5-yl)benzonitrile;5-[2,3,6,7,8-pentakis(pyrido[3,2-b]indol-5-yl)dibenzofuran-4-yl]pyrido[3,2-b]indole;5-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]pyrido[4,3-b]indole;2,4,6-tri(carbazol-9-yl)-3,5-bis(3-phenylcarbazol-9-yl)benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccccc2c2ccccc21.N#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21.N#Cc1c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)c1-n1c2ccccc2c2ncccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)c1-n1c2ccccc2c2ncccc21.c1ccc2c(c1)c1cnccc1n2-c1nc(-n2c3ccccc3c3cnccc32)c(-n2c3ccccc3c3cnccc32)c(-n2c3ccccc3c3cnccc32)c1-n1c2ccccc2c2cnccc21.c1ccc2c(c1)c1ncccc1n2-c1cc2c(oc3c(-n4c5ccccc5c5ncccc54)c(-n4c5ccccc5c5ncccc54)c(-n4c5ccccc5c5ncccc54)cc32)c(-n2c3ccccc3c3ncccc32)c1-n1c2ccccc2c2ncccc21
InChIInChI=1S/C79H48N6.C78H44N12O.C74H42N12.C67H40N6.C62H35N11.C60H35N11/c80-49-64-75(81-65-35-15-7-27-54(65)55-28-8-16-36-66(55)81)77(84-71-41-21-13-33-60(71)62-47-52(43-45-73(62)84)50-23-3-1-4-24-50)79(83-69-39-19-11-31-58(69)59-32-12-20-40-70(59)83)78(76(64)82-67-37-17-9-29-56(67)57-30-10-18-38-68(57)82)85-72-42-22-14-34-61(72)63-48-53(44-46-74(63)85)51-25-5-2-6-26-51;1-7-25-53-45(19-1)67-59(31-13-37-79-67)85(53)65-43-51-52-44-66(86-54-26-8-2-20-46(54)68-60(86)32-14-38-80-68)74(88-56-28-10-4-22-48(56)70-62(88)34-16-40-82-70)76(90-58-30-12-6-24-50(58)72-64(90)36-18-42-84-72)78(52)91-77(51)75(89-57-29-11-5-23-49(57)71-63(89)35-17-41-83-71)73(65)87-55-27-9-3-21-47(55)69-61(87)33-15-39-81-69;1-75-44-36-37-58-51(43-44)45-19-2-8-25-52(45)81(58)69-70(82-53-26-9-3-20-46(53)64-59(82)31-14-38-76-64)72(84-55-28-11-5-22-48(55)66-61(84)33-16-40-78-66)74(86-57-30-13-7-24-50(57)68-63(86)35-18-42-80-68)73(85-56-29-12-6-23-49(56)67-62(85)34-17-41-79-67)71(69)83-54-27-10-4-21-47(54)65-60(83)32-15-39-77-65;68-41-52-63(69-53-31-11-1-21-42(53)43-22-2-12-32-54(43)69)65(71-57-35-15-5-25-46(57)47-26-6-16-36-58(47)71)67(73-61-39-19-9-29-50(61)51-30-10-20-40-62(51)73)66(72-59-37-17-7-27-48(59)49-28-8-18-38-60(49)72)64(52)70-55-33-13-3-23-44(55)45-24-4-14-34-56(45)70;63-36-42-58(69-43-21-6-1-16-37(43)53-48(69)26-11-31-64-53)60(71-45-23-8-3-18-39(45)55-50(71)28-13-33-66-55)62(73-47-25-10-5-20-41(47)57-52(73)30-15-35-68-57)61(72-46-24-9-4-19-40(46)56-51(72)29-14-34-67-56)59(42)70-44-22-7-2-17-38(44)54-49(70)27-12-32-65-54;1-6-16-46-36(11-1)41-31-61-26-21-51(41)67(46)56-57(68-47-17-7-2-12-37(47)42-32-62-27-22-52(42)68)59(70-49-19-9-4-14-39(49)44-34-64-29-24-54(44)70)66-60(71-50-20-10-5-15-40(50)45-35-65-30-25-55(45)71)58(56)69-48-18-8-3-13-38(48)43-33-63-28-23-53(43)69/h1-48H;1-44H;2-43H;1-40H;1-35H;1-35H
InChIKeyWZIFYTDZTHEVSH-UHFFFAOYSA-N
XLogP101.32
TPSA530.21 Ų
H-Bond Donors
H-Bond Acceptors58
Rotatable Bonds34
Heavy Atoms479
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006118.98
LogP ≤ 5101.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1058

Analyze 5-[2-(3-isocyanocarbazol-9-yl)-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole;2,3,4,5,6-penta(carbazol-9-yl)benzonitrile;2,3,4,5,6-pentakis(pyrido[3,2-b]indol-5-yl)benzonitrile;5-[2,3,6,7,8-pentakis(pyrido[3,2-b]indol-5-yl)dibenzofuran-4-yl]pyrido[3,2-b]indole;5-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]pyrido[4,3-b]indole;2,4,6-tri(carbazol-9-yl)-3,5-bis(3-phenylcarbazol-9-yl)benzonitrile with MolForge

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Related Compounds

2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile
CID 139507191
5-[2-(3-isocyanocarbazol-9-yl)-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 164791660
3,5-bis[3-(3-carbazol-9-ylphenyl)carbazol-9-yl]-2,4,6-tris(pyrido[3,2-b]indol-5-yl)benzonitrile
CID 146530819
2,5-di(carbazol-9-yl)-4,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 167015442
5-isocyano-2,3,4-triphenyl-6-(8-phenylpyrido[4,3-b]indol-5-yl)benzonitrile
CID 140705035
2,4-di(carbazol-9-yl)-5-isocyano-3,6-bis(3-phenyl-[1]benzofuro[2,3-a]carbazol-12-yl)benzonitrile
CID 156680162
5-[2-(3,6-diphenylcarbazol-9-yl)-4-(2-methylphenyl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole
CID 151566908
4-(3-isocyanophenyl)-2,5-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 155646815
9-(6-carbazol-9-yl-2-pyridinyl)carbazole-3-carbonitrile;6-isocyano-9-[3-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]carbazole-3-carbonitrile;9-[6-(6-isocyanopyrido[2,3-b]indol-9-yl)-2-pyridinyl]carbazole-3-carbonitrile;9-(8-pyrido[2,3-b]indol-9-yldibenzofuran-2-yl)carbazole-3,6-dicarbonitrile;9-(6-pyrido[4,3-b]indol-5-yl-2-pyridinyl)carbazole-3,6-dicarbonitrile
CID 161272686
9-[2,6-di(carbazol-9-yl)-5-(3,6-diphenylcarbazol-9-yl)-4-pyridin-2-yl-3-pyridinyl]-3,6-diphenylcarbazole
CID 137368341
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
3-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]benzonitrile
CID 170438068

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-isocyanocarbazol-9-yl)-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole;2,3,4,5,6-penta(carbazol-9-yl)benzonitrile;2,3,4,5,6-pentakis(pyrido[3,2-b]indol-5-yl)benzonitrile;5-[2,3,6,7,8-pentakis(pyrido[3,2-b]indol-5-yl)dibenzofuran-4-yl]pyrido[3,2-b]indole;5-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]pyrido[4,3-b]indole;2,4,6-tri(carbazol-9-yl)-3,5-bis(3-phenylcarbazol-9-yl)benzonitrile?
The IUPAC name of 5-[2-(3-isocyanocarbazol-9-yl)-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole;2,3,4,5,6-penta(carbazol-9-yl)benzonitrile;2,3,4,5,6-pentakis(pyrido[3,2-b]indol-5-yl)benzonitrile;5-[2,3,6,7,8-pentakis(pyrido[3,2-b]indol-5-yl)dibenzofuran-4-yl]pyrido[3,2-b]indole;5-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]pyrido[4,3-b]indole;2,4,6-tri(carbazol-9-yl)-3,5-bis(3-phenylcarbazol-9-yl)benzonitrile (CID 165092743) is 5-[2-(3-isocyanocarbazol-9-yl)-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole;2,3,4,5,6-penta(carbazol-9-yl)benzonitrile;2,3,4,5,6-pentakis(pyrido[3,2-b]indol-5-yl)benzonitrile;5-[2,3,6,7,8-pentakis(pyrido[3,2-b]indol-5-yl)dibenzofuran-4-yl]pyrido[3,2-b]indole;5-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]pyrido[4,3-b]indole;2,4,6-tri(carbazol-9-yl)-3,5-bis(3-phenylcarbazol-9-yl)benzonitrile.
What is the SMILES notation for 5-[2-(3-isocyanocarbazol-9-yl)-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole;2,3,4,5,6-penta(carbazol-9-yl)benzonitrile;2,3,4,5,6-pentakis(pyrido[3,2-b]indol-5-yl)benzonitrile;5-[2,3,6,7,8-pentakis(pyrido[3,2-b]indol-5-yl)dibenzofuran-4-yl]pyrido[3,2-b]indole;5-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]pyrido[4,3-b]indole;2,4,6-tri(carbazol-9-yl)-3,5-bis(3-phenylcarbazol-9-yl)benzonitrile?
The canonical SMILES for 5-[2-(3-isocyanocarbazol-9-yl)-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole;2,3,4,5,6-penta(carbazol-9-yl)benzonitrile;2,3,4,5,6-pentakis(pyrido[3,2-b]indol-5-yl)benzonitrile;5-[2,3,6,7,8-pentakis(pyrido[3,2-b]indol-5-yl)dibenzofuran-4-yl]pyrido[3,2-b]indole;5-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]pyrido[4,3-b]indole;2,4,6-tri(carbazol-9-yl)-3,5-bis(3-phenylcarbazol-9-yl)benzonitrile is N#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccccc2c2ccccc21.N#Cc1c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1-n1c2ccccc2c2ccccc21.N#Cc1c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)c1-n1c2ccccc2c2ncccc21.[C-]#[N+]c1ccc2c(c1)c1ccccc1n2-c1c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)c(-n2c3ccccc3c3ncccc32)c1-n1c2ccccc2c2ncccc21.c1ccc2c(c1)c1cnccc1n2-c1nc(-n2c3ccccc3c3cnccc32)c(-n2c3ccccc3c3cnccc32)c(-n2c3ccccc3c3cnccc32)c1-n1c2ccccc2c2cnccc21.c1ccc2c(c1)c1ncccc1n2-c1cc2c(oc3c(-n4c5ccccc5c5ncccc54)c(-n4c5ccccc5c5ncccc54)c(-n4c5ccccc5c5ncccc54)cc32)c(-n2c3ccccc3c3ncccc32)c1-n1c2ccccc2c2ncccc21.
What is the InChIKey of 5-[2-(3-isocyanocarbazol-9-yl)-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole;2,3,4,5,6-penta(carbazol-9-yl)benzonitrile;2,3,4,5,6-pentakis(pyrido[3,2-b]indol-5-yl)benzonitrile;5-[2,3,6,7,8-pentakis(pyrido[3,2-b]indol-5-yl)dibenzofuran-4-yl]pyrido[3,2-b]indole;5-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]pyrido[4,3-b]indole;2,4,6-tri(carbazol-9-yl)-3,5-bis(3-phenylcarbazol-9-yl)benzonitrile?
The InChIKey is WZIFYTDZTHEVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H48N6.C78H44N12O.C74H42N12.C67H40N6.C62H35N11.C60H35N11/c80-49-64-75(81-65-35-15-7-27-54(65)55-28-8-16-36-66(55)81)77(84-71-41-21-13-33-60(71)62-47-52(43-45-73(62)84)50-23-3-1-4-24-50)79(83-69-39-19-11-31-58(69)59-32-12-20-40-70(59)83)78(76(64)82-67-37-17-9-29-56(67)57-30-10-18-38-68(57)82)85-72-42-22-14-34-61(72)63-48-53(44-46-74(63)85)51-25-5-2-6-26-51;1-7-25-53-45(19-1)67-59(31-13-37-79-67)85(53)65-43-51-52-44-66(86-54-26-8-2-20-46(54)68-60(86)32-14-38-80-68)74(88-56-28-10-4-22-48(56)70-62(88)34-16-40-82-70)76(90-58-30-12-6-24-50(58)72-64(90)36-18-42-84-72)78(52)91-77(51)75(89-57-29-11-5-23-49(57)71-63(89)35-17-41-83-71)73(65)87-55-27-9-3-21-47(55)69-61(87)33-15-39-81-69;1-75-44-36-37-58-51(43-44)45-19-2-8-25-52(45)81(58)69-70(82-53-26-9-3-20-46(53)64-59(82)31-14-38-76-64)72(84-55-28-11-5-22-48(55)66-61(84)33-16-40-78-66)74(86-57-30-13-7-24-50(57)68-63(86)35-18-42-80-68)73(85-56-29-12-6-23-49(56)67-62(85)34-17-41-79-67)71(69)83-54-27-10-4-21-47(54)65-60(83)32-15-39-77-65;68-41-52-63(69-53-31-11-1-21-42(53)43-22-2-12-32-54(43)69)65(71-57-35-15-5-25-46(57)47-26-6-16-36-58(47)71)67(73-61-39-19-9-29-50(61)51-30-10-20-40-62(51)73)66(72-59-37-17-7-27-48(59)49-28-8-18-38-60(49)72)64(52)70-55-33-13-3-23-44(55)45-24-4-14-34-56(45)70;63-36-42-58(69-43-21-6-1-16-37(43)53-48(69)26-11-31-64-53)60(71-45-23-8-3-18-39(45)55-50(71)28-13-33-66-55)62(73-47-25-10-5-20-41(47)57-52(73)30-15-35-68-57)61(72-46-24-9-4-19-40(46)56-51(72)29-14-34-67-56)59(42)70-44-22-7-2-17-38(44)54-49(70)27-12-32-65-54;1-6-16-46-36(11-1)41-31-61-26-21-51(41)67(46)56-57(68-47-17-7-2-12-37(47)42-32-62-27-22-52(42)68)59(70-49-19-9-4-14-39(49)44-34-64-29-24-54(44)70)66-60(71-50-20-10-5-15-40(50)45-35-65-30-25-55(45)71)58(56)69-48-18-8-3-13-38(48)43-33-63-28-23-53(43)69/h1-48H;1-44H;2-43H;1-40H;1-35H;1-35H.
What are the key properties of 5-[2-(3-isocyanocarbazol-9-yl)-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole;2,3,4,5,6-penta(carbazol-9-yl)benzonitrile;2,3,4,5,6-pentakis(pyrido[3,2-b]indol-5-yl)benzonitrile;5-[2,3,6,7,8-pentakis(pyrido[3,2-b]indol-5-yl)dibenzofuran-4-yl]pyrido[3,2-b]indole;5-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]pyrido[4,3-b]indole;2,4,6-tri(carbazol-9-yl)-3,5-bis(3-phenylcarbazol-9-yl)benzonitrile?
5-[2-(3-isocyanocarbazol-9-yl)-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole;2,3,4,5,6-penta(carbazol-9-yl)benzonitrile;2,3,4,5,6-pentakis(pyrido[3,2-b]indol-5-yl)benzonitrile;5-[2,3,6,7,8-pentakis(pyrido[3,2-b]indol-5-yl)dibenzofuran-4-yl]pyrido[3,2-b]indole;5-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]pyrido[4,3-b]indole;2,4,6-tri(carbazol-9-yl)-3,5-bis(3-phenylcarbazol-9-yl)benzonitrile has a molecular weight of 6118.98 g/mol, XLogP of 101.32, 34 rotatable bonds, 0 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-isocyanocarbazol-9-yl)-3,4,5,6-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole;2,3,4,5,6-penta(carbazol-9-yl)benzonitrile;2,3,4,5,6-pentakis(pyrido[3,2-b]indol-5-yl)benzonitrile;5-[2,3,6,7,8-pentakis(pyrido[3,2-b]indol-5-yl)dibenzofuran-4-yl]pyrido[3,2-b]indole;5-[2,3,5,6-tetrakis(pyrido[4,3-b]indol-5-yl)-4-pyridinyl]pyrido[4,3-b]indole;2,4,6-tri(carbazol-9-yl)-3,5-bis(3-phenylcarbazol-9-yl)benzonitrile is sourced from PubChem (CID 165092743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).