3,6-ditert-butyl-9-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-dipyridin-3-ylquinoxalin-5-yl]carbazole;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]phenoxazine;5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-10-phenylphenazine;10,13-di(carbazol-9-yl)-3-N,3-N,6-N,6-N-tetraphenylphenanthro[9,10-b]quinoxaline-3,6-diamine;3,6,10,13-tetra(carbazol-9-yl)phenanthro[9,10-b]quinoxaline

C353H246N34O — CID 159079968

IUPAC3,6-ditert-butyl-9-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-dipyridin-3-ylquinoxalin-5-yl]carbazole;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]phenoxazine;5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-10-phenylphenazine;10,13-di(carbazol-9-yl)-3-N,3-N,6-N,6-N-tetraphenylphenanthro[9,10-b]quinoxaline-3,6-diamine;3,6,10,13-tetra(carbazol-9-yl)phenanthro[9,10-b]quinoxaline
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c2nc(-c3cccnc3)c(-c3cccnc3)nc12.CC1(C)c2ccccc2N(c2ccc(-c3cnc4c(-n5c6ccccc6c6ccccc65)ccc(-n5c6ccccc6c6ccccc65)c4n3)cc2)c2ccccc21.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccccc4)ccc2c2nc4c(-n5c6ccccc6c6ccccc65)ccc(-n5c6ccccc6c6ccccc65)c4nc32)cc1.c1ccc(N2c3ccccc3N(c3ccc(-c4cnc5c(-n6c7ccccc7c7ccccc76)ccc(-n6c7ccccc7c7ccccc76)c5n4)cc3)c3ccccc32)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cnc3c(-n4c5ccccc5c5ccccc54)ccc(-n4c5ccccc5c5ccccc54)c3n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1c1nc3c(-n4c5ccccc5c5ccccc54)ccc(-n4c5ccccc5c5ccccc54)c3nc21
InChIInChI=1S/C68H40N6.C68H44N6.C58H58N6.C56H36N6.C53H37N5.C50H31N5O/c1-9-25-55-43(17-1)44-18-2-10-26-56(44)71(55)41-33-35-51-53(39-41)54-40-42(72-57-27-11-3-19-45(57)46-20-4-12-28-58(46)72)34-36-52(54)66-65(51)69-67-63(73-59-29-13-5-21-47(59)48-22-6-14-30-60(48)73)37-38-64(68(67)70-66)74-61-31-15-7-23-49(61)50-24-8-16-32-62(50)74;1-5-21-45(22-6-1)71(46-23-7-2-8-24-46)49-37-39-55-57(43-49)58-44-50(72(47-25-9-3-10-26-47)48-27-11-4-12-28-48)38-40-56(58)66-65(55)69-67-63(73-59-33-17-13-29-51(59)52-30-14-18-34-60(52)73)41-42-64(68(67)70-66)74-61-35-19-15-31-53(61)54-32-16-20-36-62(54)74;1-55(2,3)37-17-21-45-41(29-37)42-30-38(56(4,5)6)18-22-46(42)63(45)49-25-26-50(54-53(49)61-51(35-15-13-27-59-33-35)52(62-54)36-16-14-28-60-34-36)64-47-23-19-39(57(7,8)9)31-43(47)44-32-40(58(10,11)12)20-24-48(44)64;1-2-16-38(17-3-1)59-49-26-12-14-28-51(49)60(52-29-15-13-27-50(52)59)39-32-30-37(31-33-39)44-36-57-55-53(61-45-22-8-4-18-40(45)41-19-5-9-23-46(41)61)34-35-54(56(55)58-44)62-47-24-10-6-20-42(47)43-21-7-11-25-48(43)62;1-53(2)40-19-7-13-25-47(40)56(48-26-14-8-20-41(48)53)35-29-27-34(28-30-35)42-33-54-51-49(57-43-21-9-3-15-36(43)37-16-4-10-22-44(37)57)31-32-50(52(51)55-42)58-45-23-11-5-17-38(45)39-18-6-12-24-46(39)58;1-5-17-39-34(13-1)35-14-2-6-18-40(35)54(39)45-29-30-46(55-41-19-7-3-15-36(41)37-16-4-8-20-42(37)55)50-49(45)51-31-38(52-50)32-25-27-33(28-26-32)53-43-21-9-11-23-47(43)56-48-24-12-10-22-44(48)53/h1-40H;1-44H;13-34H,1-12H3;1-36H;3-33H,1-2H3;1-31H
InChIKeyKASQCJJGPMVVEN-UHFFFAOYSA-N
MW4980.09 g/mol
LogP92.25
Rot. Bonds29

About 3,6-ditert-butyl-9-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-dipyridin-3-ylquinoxalin-5-yl]carbazole;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]phenoxazine;5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-10-phenylphenazine;10,13-di(carbazol-9-yl)-3-N,3-N,6-N,6-N-tetraphenylphenanthro[9,10-b]quinoxaline-3,6-diamine;3,6,10,13-tetra(carbazol-9-yl)phenanthro[9,10-b]quinoxaline

3,6-ditert-butyl-9-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-dipyridin-3-ylquinoxalin-5-yl]carbazole;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]phenoxazine;5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-10-phenylphenazine;10,13-di(carbazol-9-yl)-3-N,3-N,6-N,6-N-tetraphenylphenanthro[9,10-b]quinoxaline-3,6-diamine;3,6,10,13-tetra(carbazol-9-yl)phenanthro[9,10-b]quinoxaline (PubChem CID 159079968) has the molecular formula C353H246N34O and a molecular weight of 4980.09 g/mol. Its IUPAC name is 3,6-ditert-butyl-9-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-dipyridin-3-ylquinoxalin-5-yl]carbazole;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]phenoxazine;5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-10-phenylphenazine;10,13-di(carbazol-9-yl)-3-N,3-N,6-N,6-N-tetraphenylphenanthro[9,10-b]quinoxaline-3,6-diamine;3,6,10,13-tetra(carbazol-9-yl)phenanthro[9,10-b]quinoxaline.

Molecular Properties

Compound Name3,6-ditert-butyl-9-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-dipyridin-3-ylquinoxalin-5-yl]carbazole;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]phenoxazine;5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-10-phenylphenazine;10,13-di(carbazol-9-yl)-3-N,3-N,6-N,6-N-tetraphenylphenanthro[9,10-b]quinoxaline-3,6-diamine;3,6,10,13-tetra(carbazol-9-yl)phenanthro[9,10-b]quinoxaline
PubChem CID159079968
Molecular FormulaC353H246N34O
Molecular Weight4980.09 g/mol
Exact Mass4976.02
IUPAC Name3,6-ditert-butyl-9-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-dipyridin-3-ylquinoxalin-5-yl]carbazole;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]phenoxazine;5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-10-phenylphenazine;10,13-di(carbazol-9-yl)-3-N,3-N,6-N,6-N-tetraphenylphenanthro[9,10-b]quinoxaline-3,6-diamine;3,6,10,13-tetra(carbazol-9-yl)phenanthro[9,10-b]quinoxaline
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c2nc(-c3cccnc3)c(-c3cccnc3)nc12.CC1(C)c2ccccc2N(c2ccc(-c3cnc4c(-n5c6ccccc6c6ccccc65)ccc(-n5c6ccccc6c6ccccc65)c4n3)cc2)c2ccccc21.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccccc4)ccc2c2nc4c(-n5c6ccccc6c6ccccc65)ccc(-n5c6ccccc6c6ccccc65)c4nc32)cc1.c1ccc(N2c3ccccc3N(c3ccc(-c4cnc5c(-n6c7ccccc7c7ccccc76)ccc(-n6c7ccccc7c7ccccc76)c5n4)cc3)c3ccccc32)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cnc3c(-n4c5ccccc5c5ccccc54)ccc(-n4c5ccccc5c5ccccc54)c3n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1c1nc3c(-n4c5ccccc5c5ccccc54)ccc(-n4c5ccccc5c5ccccc54)c3nc21
InChIInChI=1S/C68H40N6.C68H44N6.C58H58N6.C56H36N6.C53H37N5.C50H31N5O/c1-9-25-55-43(17-1)44-18-2-10-26-56(44)71(55)41-33-35-51-53(39-41)54-40-42(72-57-27-11-3-19-45(57)46-20-4-12-28-58(46)72)34-36-52(54)66-65(51)69-67-63(73-59-29-13-5-21-47(59)48-22-6-14-30-60(48)73)37-38-64(68(67)70-66)74-61-31-15-7-23-49(61)50-24-8-16-32-62(50)74;1-5-21-45(22-6-1)71(46-23-7-2-8-24-46)49-37-39-55-57(43-49)58-44-50(72(47-25-9-3-10-26-47)48-27-11-4-12-28-48)38-40-56(58)66-65(55)69-67-63(73-59-33-17-13-29-51(59)52-30-14-18-34-60(52)73)41-42-64(68(67)70-66)74-61-35-19-15-31-53(61)54-32-16-20-36-62(54)74;1-55(2,3)37-17-21-45-41(29-37)42-30-38(56(4,5)6)18-22-46(42)63(45)49-25-26-50(54-53(49)61-51(35-15-13-27-59-33-35)52(62-54)36-16-14-28-60-34-36)64-47-23-19-39(57(7,8)9)31-43(47)44-32-40(58(10,11)12)20-24-48(44)64;1-2-16-38(17-3-1)59-49-26-12-14-28-51(49)60(52-29-15-13-27-50(52)59)39-32-30-37(31-33-39)44-36-57-55-53(61-45-22-8-4-18-40(45)41-19-5-9-23-46(41)61)34-35-54(56(55)58-44)62-47-24-10-6-20-42(47)43-21-7-11-25-48(43)62;1-53(2)40-19-7-13-25-47(40)56(48-26-14-8-20-41(48)53)35-29-27-34(28-30-35)42-33-54-51-49(57-43-21-9-3-15-36(43)37-16-4-10-22-44(37)57)31-32-50(52(51)55-42)58-45-23-11-5-17-38(45)39-18-6-12-24-46(39)58;1-5-17-39-34(13-1)35-14-2-6-18-40(35)54(39)45-29-30-46(55-41-19-7-3-15-36(41)37-16-4-8-20-42(37)55)50-49(45)51-31-38(52-50)32-25-27-33(28-26-32)53-43-21-9-11-23-47(43)56-48-24-12-10-22-44(48)53/h1-40H;1-44H;13-34H,1-12H3;1-36H;3-33H,1-2H3;1-31H
InChIKeyKASQCJJGPMVVEN-UHFFFAOYSA-N
XLogP92.25
TPSA278.15 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds29
Heavy Atoms388
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004980.09
LogP ≤ 592.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 3,6-ditert-butyl-9-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-dipyridin-3-ylquinoxalin-5-yl]carbazole;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]phenoxazine;5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-10-phenylphenazine;10,13-di(carbazol-9-yl)-3-N,3-N,6-N,6-N-tetraphenylphenanthro[9,10-b]quinoxaline-3,6-diamine;3,6,10,13-tetra(carbazol-9-yl)phenanthro[9,10-b]quinoxaline with MolForge

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Related Compounds

CID 157251634
CID 157251634
9-[4-Carbazol-9-yl-2,5-di(pyrimidin-5-yl)phenyl]carbazole;9-[4-carbazol-9-yl-2-methyl-5-(trifluoromethyl)phenyl]carbazole;9-[3,5-di(carbazol-9-yl)-2,4,6-tris(2,3,4,5,6-pentafluorophenyl)phenyl]carbazole;10-[2,4,6-tris(2,3,4,5,6-pentafluorophenyl)-3,5-di(phenoxazin-10-yl)phenyl]phenoxazine
CID 157336625
3-[3-[3,5-Bis[3-(1-phenylindol-3-yl)phenyl]phenyl]phenyl]-1-phenylindole;5-fluoro-3-[2-(5-fluoro-1-phenylindol-3-yl)propan-2-yl]-1-phenylindole;1-(4-fluorophenyl)-3-[2-[1-(4-fluorophenyl)indol-3-yl]propan-2-yl]indole;4-[3-[2-[1-(4-isocyanophenyl)indol-3-yl]propan-2-yl]indol-1-yl]benzonitrile;1-(4-methoxyphenyl)-3-[2-[1-(4-methoxyphenyl)indol-3-yl]propan-2-yl]indole;3-[3-methyl-4-[2-methyl-4-(1-phenylindol-3-yl)phenyl]phenyl]-1-phenylindole;2-(1-phenylindol-3-yl)-9-[3-[9-(1-phenylindol-3-yl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;1-phenyl-3-[2-[1-phenyl-5-(trifluoromethyl)indol-3-yl]propan-2-yl]-5-(trifluoromethyl)indole;trimethyl-[1-phenyl-3-[2-(1-phenyl-5-trimethylsilylindol-3-yl)propan-2-yl]indol-5-yl]silane
CID 158761963
7-[4-(12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)phenyl]-N,N-bis[3-[5-(4-phenylphenyl)benzo[b]carbazol-2-yl]phenyl]-2,1,3-benzothiadiazol-4-amine;7-[4-(17-naphthalen-2-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-21-yl)phenyl]-N-(3-phenoxazin-10-ylphenyl)-N-phenyl-2,1,3-benzothiadiazol-4-amine;7-[4-(17-naphthalen-2-yl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-21-yl)phenyl]-N-[4-(trifluoromethyl)phenyl]-N-[3-[4-(trifluoromethyl)phenyl]phenyl]-2,1,3-benzothiadiazol-4-amine
CID 160574519
N-[7-[3-[3,5-bis[3,5-bis[7-[(10-ethylphenoxazin-3-yl)-(9-phenylcarbazol-3-yl)amino]-9,9-dimethylfluoren-2-yl]phenyl]phenyl]-5-[7-[(10-ethylphenoxazin-3-yl)-(9-phenylcarbazol-3-yl)amino]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-10-ethyl-N-(9-phenylcarbazol-3-yl)phenoxazin-3-amine
CID 58050786
10-(5-Phenoxazin-10-ylbenzo[g]quinolin-10-yl)phenoxazine
CID 59183706
10-[9,10-Bis(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59219455
10-[9-Naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59219798
10-[4-[5-[4-[3,5-Di(carbazol-9-yl)phenyl]phenyl]-3-pyridinyl]phenyl]phenoxazine
CID 59372093
10-(13,13-Dimethyl-1,6,9-triazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8,10,12(20),14(19),15,17-nonaen-16-yl)phenoxazine
CID 68203333
10-[6-(1,2-Dihydrophenoxazin-10-yl)-9-naphthalen-2-yl-10-(1,10-phenanthrolin-2-yl)anthracen-2-yl]phenoxazine
CID 89111369
10-[4-[5-(1,10-Phenanthrolin-2-yl)indolo[3,2-c]carbazol-12-yl]-6-phenoxazin-10-yl-1,3,5-triazin-2-yl]phenoxazine
CID 117862729

Frequently Asked Questions

What is the IUPAC name of 3,6-ditert-butyl-9-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-dipyridin-3-ylquinoxalin-5-yl]carbazole;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]phenoxazine;5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-10-phenylphenazine;10,13-di(carbazol-9-yl)-3-N,3-N,6-N,6-N-tetraphenylphenanthro[9,10-b]quinoxaline-3,6-diamine;3,6,10,13-tetra(carbazol-9-yl)phenanthro[9,10-b]quinoxaline?
The IUPAC name of 3,6-ditert-butyl-9-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-dipyridin-3-ylquinoxalin-5-yl]carbazole;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]phenoxazine;5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-10-phenylphenazine;10,13-di(carbazol-9-yl)-3-N,3-N,6-N,6-N-tetraphenylphenanthro[9,10-b]quinoxaline-3,6-diamine;3,6,10,13-tetra(carbazol-9-yl)phenanthro[9,10-b]quinoxaline (CID 159079968) is 3,6-ditert-butyl-9-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-dipyridin-3-ylquinoxalin-5-yl]carbazole;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]phenoxazine;5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-10-phenylphenazine;10,13-di(carbazol-9-yl)-3-N,3-N,6-N,6-N-tetraphenylphenanthro[9,10-b]quinoxaline-3,6-diamine;3,6,10,13-tetra(carbazol-9-yl)phenanthro[9,10-b]quinoxaline.
What is the SMILES notation for 3,6-ditert-butyl-9-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-dipyridin-3-ylquinoxalin-5-yl]carbazole;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]phenoxazine;5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-10-phenylphenazine;10,13-di(carbazol-9-yl)-3-N,3-N,6-N,6-N-tetraphenylphenanthro[9,10-b]quinoxaline-3,6-diamine;3,6,10,13-tetra(carbazol-9-yl)phenanthro[9,10-b]quinoxaline?
The canonical SMILES for 3,6-ditert-butyl-9-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-dipyridin-3-ylquinoxalin-5-yl]carbazole;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]phenoxazine;5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-10-phenylphenazine;10,13-di(carbazol-9-yl)-3-N,3-N,6-N,6-N-tetraphenylphenanthro[9,10-b]quinoxaline-3,6-diamine;3,6,10,13-tetra(carbazol-9-yl)phenanthro[9,10-b]quinoxaline is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c2nc(-c3cccnc3)c(-c3cccnc3)nc12.CC1(C)c2ccccc2N(c2ccc(-c3cnc4c(-n5c6ccccc6c6ccccc65)ccc(-n5c6ccccc6c6ccccc65)c4n3)cc2)c2ccccc21.c1ccc(N(c2ccccc2)c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccccc4)ccc2c2nc4c(-n5c6ccccc6c6ccccc65)ccc(-n5c6ccccc6c6ccccc65)c4nc32)cc1.c1ccc(N2c3ccccc3N(c3ccc(-c4cnc5c(-n6c7ccccc7c7ccccc76)ccc(-n6c7ccccc7c7ccccc76)c5n4)cc3)c3ccccc32)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cnc3c(-n4c5ccccc5c5ccccc54)ccc(-n4c5ccccc5c5ccccc54)c3n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1c1nc3c(-n4c5ccccc5c5ccccc54)ccc(-n4c5ccccc5c5ccccc54)c3nc21.
What is the InChIKey of 3,6-ditert-butyl-9-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-dipyridin-3-ylquinoxalin-5-yl]carbazole;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]phenoxazine;5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-10-phenylphenazine;10,13-di(carbazol-9-yl)-3-N,3-N,6-N,6-N-tetraphenylphenanthro[9,10-b]quinoxaline-3,6-diamine;3,6,10,13-tetra(carbazol-9-yl)phenanthro[9,10-b]quinoxaline?
The InChIKey is KASQCJJGPMVVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H40N6.C68H44N6.C58H58N6.C56H36N6.C53H37N5.C50H31N5O/c1-9-25-55-43(17-1)44-18-2-10-26-56(44)71(55)41-33-35-51-53(39-41)54-40-42(72-57-27-11-3-19-45(57)46-20-4-12-28-58(46)72)34-36-52(54)66-65(51)69-67-63(73-59-29-13-5-21-47(59)48-22-6-14-30-60(48)73)37-38-64(68(67)70-66)74-61-31-15-7-23-49(61)50-24-8-16-32-62(50)74;1-5-21-45(22-6-1)71(46-23-7-2-8-24-46)49-37-39-55-57(43-49)58-44-50(72(47-25-9-3-10-26-47)48-27-11-4-12-28-48)38-40-56(58)66-65(55)69-67-63(73-59-33-17-13-29-51(59)52-30-14-18-34-60(52)73)41-42-64(68(67)70-66)74-61-35-19-15-31-53(61)54-32-16-20-36-62(54)74;1-55(2,3)37-17-21-45-41(29-37)42-30-38(56(4,5)6)18-22-46(42)63(45)49-25-26-50(54-53(49)61-51(35-15-13-27-59-33-35)52(62-54)36-16-14-28-60-34-36)64-47-23-19-39(57(7,8)9)31-43(47)44-32-40(58(10,11)12)20-24-48(44)64;1-2-16-38(17-3-1)59-49-26-12-14-28-51(49)60(52-29-15-13-27-50(52)59)39-32-30-37(31-33-39)44-36-57-55-53(61-45-22-8-4-18-40(45)41-19-5-9-23-46(41)61)34-35-54(56(55)58-44)62-47-24-10-6-20-42(47)43-21-7-11-25-48(43)62;1-53(2)40-19-7-13-25-47(40)56(48-26-14-8-20-41(48)53)35-29-27-34(28-30-35)42-33-54-51-49(57-43-21-9-3-15-36(43)37-16-4-10-22-44(37)57)31-32-50(52(51)55-42)58-45-23-11-5-17-38(45)39-18-6-12-24-46(39)58;1-5-17-39-34(13-1)35-14-2-6-18-40(35)54(39)45-29-30-46(55-41-19-7-3-15-36(41)37-16-4-8-20-42(37)55)50-49(45)51-31-38(52-50)32-25-27-33(28-26-32)53-43-21-9-11-23-47(43)56-48-24-12-10-22-44(48)53/h1-40H;1-44H;13-34H,1-12H3;1-36H;3-33H,1-2H3;1-31H.
What are the key properties of 3,6-ditert-butyl-9-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-dipyridin-3-ylquinoxalin-5-yl]carbazole;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]phenoxazine;5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-10-phenylphenazine;10,13-di(carbazol-9-yl)-3-N,3-N,6-N,6-N-tetraphenylphenanthro[9,10-b]quinoxaline-3,6-diamine;3,6,10,13-tetra(carbazol-9-yl)phenanthro[9,10-b]quinoxaline?
3,6-ditert-butyl-9-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-dipyridin-3-ylquinoxalin-5-yl]carbazole;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]phenoxazine;5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-10-phenylphenazine;10,13-di(carbazol-9-yl)-3-N,3-N,6-N,6-N-tetraphenylphenanthro[9,10-b]quinoxaline-3,6-diamine;3,6,10,13-tetra(carbazol-9-yl)phenanthro[9,10-b]quinoxaline has a molecular weight of 4980.09 g/mol, XLogP of 92.25, 29 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-ditert-butyl-9-[8-(3,6-ditert-butylcarbazol-9-yl)-2,3-dipyridin-3-ylquinoxalin-5-yl]carbazole;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-9,9-dimethylacridine;10-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]phenoxazine;5-[4-[5,8-di(carbazol-9-yl)quinoxalin-2-yl]phenyl]-10-phenylphenazine;10,13-di(carbazol-9-yl)-3-N,3-N,6-N,6-N-tetraphenylphenanthro[9,10-b]quinoxaline-3,6-diamine;3,6,10,13-tetra(carbazol-9-yl)phenanthro[9,10-b]quinoxaline is sourced from PubChem (CID 159079968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).