2-phenyl-5-[4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]phenyl]-1,3,4-oxadiazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridinyl]carbazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(5-phenyl-4H-pyrazol-3-yl)phenyl]-3-pyridinyl]carbazole

C208H130N22O — CID 157140401

IUPAC2-phenyl-5-[4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]phenyl]-1,3,4-oxadiazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridinyl]carbazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(5-phenyl-4H-pyrazol-3-yl)phenyl]-3-pyridinyl]carbazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)c4-n4c5ccccc5c5ccccc54)cc3)n2-c2ccccc2)cc1.c1ccc(-c2nnc(-c3ccc(-c4c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)c4-n4c5ccccc5c5ccccc54)cc3)o2)cc1.c1ccc(C2=NN=C(c3ccc(-c4c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)c4-n4c5ccccc5c5ccccc54)cc3)C2)cc1
InChIInChI=1S/C73H46N8.C68H43N7.C67H41N7O/c1-3-23-48(24-4-1)70-75-76-71(77(70)50-25-5-2-6-26-50)49-45-43-47(44-46-49)67-68(78-59-35-15-7-27-51(59)52-28-8-16-36-60(52)78)72(80-63-39-19-11-31-55(63)56-32-12-20-40-64(56)80)74-73(81-65-41-21-13-33-57(65)58-34-14-22-42-66(58)81)69(67)79-61-37-17-9-29-53(61)54-30-10-18-38-62(54)79;1-2-20-43(21-3-1)54-42-55(71-70-54)44-38-40-45(41-39-44)64-65(72-56-30-12-4-22-46(56)47-23-5-13-31-57(47)72)67(74-60-34-16-8-26-50(60)51-27-9-17-35-61(51)74)69-68(75-62-36-18-10-28-52(62)53-29-11-19-37-63(53)75)66(64)73-58-32-14-6-24-48(58)49-25-7-15-33-59(49)73;1-2-20-43(21-3-1)66-69-70-67(75-66)44-40-38-42(39-41-44)61-62(71-53-30-12-4-22-45(53)46-23-5-13-31-54(46)71)64(73-57-34-16-8-26-49(57)50-27-9-17-35-58(50)73)68-65(74-59-36-18-10-28-51(59)52-29-11-19-37-60(52)74)63(61)72-55-32-14-6-24-47(55)48-25-7-15-33-56(48)72/h1-46H;1-41H,42H2;1-41H
InChIKeyAKCWORJWUIMDMH-UHFFFAOYSA-N
MW2953.48 g/mol
LogP51.64
Rot. Bonds22

About 2-phenyl-5-[4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]phenyl]-1,3,4-oxadiazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridinyl]carbazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(5-phenyl-4H-pyrazol-3-yl)phenyl]-3-pyridinyl]carbazole

2-phenyl-5-[4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]phenyl]-1,3,4-oxadiazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridinyl]carbazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(5-phenyl-4H-pyrazol-3-yl)phenyl]-3-pyridinyl]carbazole (PubChem CID 157140401) has the molecular formula C208H130N22O and a molecular weight of 2953.48 g/mol. Its IUPAC name is 2-phenyl-5-[4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]phenyl]-1,3,4-oxadiazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridinyl]carbazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(5-phenyl-4H-pyrazol-3-yl)phenyl]-3-pyridinyl]carbazole.

Molecular Properties

Compound Name2-phenyl-5-[4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]phenyl]-1,3,4-oxadiazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridinyl]carbazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(5-phenyl-4H-pyrazol-3-yl)phenyl]-3-pyridinyl]carbazole
PubChem CID157140401
Molecular FormulaC208H130N22O
Molecular Weight2953.48 g/mol
Exact Mass2951.08
IUPAC Name2-phenyl-5-[4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]phenyl]-1,3,4-oxadiazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridinyl]carbazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(5-phenyl-4H-pyrazol-3-yl)phenyl]-3-pyridinyl]carbazole
SMILESc1ccc(-c2nnc(-c3ccc(-c4c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)c4-n4c5ccccc5c5ccccc54)cc3)n2-c2ccccc2)cc1.c1ccc(-c2nnc(-c3ccc(-c4c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)c4-n4c5ccccc5c5ccccc54)cc3)o2)cc1.c1ccc(C2=NN=C(c3ccc(-c4c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)c4-n4c5ccccc5c5ccccc54)cc3)C2)cc1
InChIInChI=1S/C73H46N8.C68H43N7.C67H41N7O/c1-3-23-48(24-4-1)70-75-76-71(77(70)50-25-5-2-6-26-50)49-45-43-47(44-46-49)67-68(78-59-35-15-7-27-51(59)52-28-8-16-36-60(52)78)72(80-63-39-19-11-31-55(63)56-32-12-20-40-64(56)80)74-73(81-65-41-21-13-33-57(65)58-34-14-22-42-66(58)81)69(67)79-61-37-17-9-29-53(61)54-30-10-18-38-62(54)79;1-2-20-43(21-3-1)54-42-55(71-70-54)44-38-40-45(41-39-44)64-65(72-56-30-12-4-22-46(56)47-23-5-13-31-57(47)72)67(74-60-34-16-8-26-50(60)51-27-9-17-35-61(51)74)69-68(75-62-36-18-10-28-52(62)53-29-11-19-37-63(53)75)66(64)73-58-32-14-6-24-48(58)49-25-7-15-33-59(49)73;1-2-20-43(21-3-1)66-69-70-67(75-66)44-40-38-42(39-41-44)61-62(71-53-30-12-4-22-45(53)46-23-5-13-31-54(46)71)64(73-57-34-16-8-26-49(57)50-27-9-17-35-58(50)73)68-65(74-59-36-18-10-28-51(59)52-29-11-19-37-60(52)74)63(61)72-55-32-14-6-24-47(55)48-25-7-15-33-56(48)72/h1-46H;1-41H,42H2;1-41H
InChIKeyAKCWORJWUIMDMH-UHFFFAOYSA-N
XLogP51.64
TPSA192.18 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds22
Heavy Atoms231
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002953.48
LogP ≤ 551.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 2-phenyl-5-[4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]phenyl]-1,3,4-oxadiazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridinyl]carbazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(5-phenyl-4H-pyrazol-3-yl)phenyl]-3-pyridinyl]carbazole with MolForge

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Related Compounds

16-(4-Imidazo[1,2-a]pyrimidin-2-ylphenyl)-9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;9-[3-methyl-5-(trifluoromethyl)phenyl]-16-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;2-phenyl-5-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)-1,3,4-oxadiazole
CID 158772688
2-[3,5-Bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-3-phenyl-6-(trifluoromethyl)quinoxaline;2-[3-(trifluoromethyl)phenyl]-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 159951318
2,7-Bis(4-hexylphenyl)-4,9-diphenylpyrido[2,3-g]quinoline;2-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-6-methyl-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-(3-methylphenyl)-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 160311315
1-[4,6-Bis(2-methylbenzimidazol-1-yl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole;9-butan-2-ylcarbazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;bis(iridium);2-phenylpyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 161135612
2-[3,5-Bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tris(1,1,1-trifluoroethane)
CID 161429827
2-[2-Methyl-10-[4-[9-[4-[3-methyl-10-(5-phenyl-1,3,4-oxadiazol-2-yl)anthracen-9-yl]phenyl]-2,7-bis(1-phenylbenzimidazol-2-yl)fluoren-9-yl]phenyl]anthracen-9-yl]-5-phenyl-1,3,4-oxadiazole
CID 57983863
2-[4-[11,11-Dimethyl-16-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-7,15-diphenyl-5,7,15,17-tetrazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(19),3,5,8,12,14(18),16-heptaen-6-yl]phenyl]-5-methyl-1,3,4-oxadiazole
CID 68229246
2-Phenyl-5-[4-(2,9,27-triazaheptacyclo[15.11.0.02,10.03,8.011,16.020,28.021,26]octacosa-1(17),3,5,7,9,11,13,15,18,20(28),21,23,25-tridecaen-27-yl)phenyl]-1,3,4-oxadiazole
CID 90432030
2-[3-[4-[3,5-Diphenyl-1-[11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazol-5-yl]-1,2,4-triazol-1-ium-4-yl]naphthalen-1-yl]-4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 90701212
5-(4-Tert-butylphenyl)-2-(4-phenylphenyl)-3-[3-phenyl-2-[3-(1-phenyl-4,5-dihydrobenzimidazol-2-yl)-5-(3-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]-3a,7a-dihydrobenzimidazol-5-yl]-1,3,4-oxadiazol-3-ium
CID 91127809
3-[2-[3,5-Bis(1-phenylbenzimidazol-2-yl)phenyl]-3-phenylbenzimidazol-5-yl]-5-(4-tert-butylphenyl)-2-(4-phenylphenyl)-1,3,4-oxadiazol-3-ium
CID 91284928
9-[3-[4-[4,6-Bis(3-methylphenyl)-1,3,5-triazin-2-yl]phenyl]propyl]-3-butyl-6-methylcarbazole;2-[4-[3-[3-butyl-5-(3-carbazol-9-ylpropyl)phenyl]propyl]phenyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 91399752

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]phenyl]-1,3,4-oxadiazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridinyl]carbazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(5-phenyl-4H-pyrazol-3-yl)phenyl]-3-pyridinyl]carbazole?
The IUPAC name of 2-phenyl-5-[4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]phenyl]-1,3,4-oxadiazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridinyl]carbazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(5-phenyl-4H-pyrazol-3-yl)phenyl]-3-pyridinyl]carbazole (CID 157140401) is 2-phenyl-5-[4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]phenyl]-1,3,4-oxadiazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridinyl]carbazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(5-phenyl-4H-pyrazol-3-yl)phenyl]-3-pyridinyl]carbazole.
What is the SMILES notation for 2-phenyl-5-[4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]phenyl]-1,3,4-oxadiazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridinyl]carbazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(5-phenyl-4H-pyrazol-3-yl)phenyl]-3-pyridinyl]carbazole?
The canonical SMILES for 2-phenyl-5-[4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]phenyl]-1,3,4-oxadiazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridinyl]carbazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(5-phenyl-4H-pyrazol-3-yl)phenyl]-3-pyridinyl]carbazole is c1ccc(-c2nnc(-c3ccc(-c4c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)c4-n4c5ccccc5c5ccccc54)cc3)n2-c2ccccc2)cc1.c1ccc(-c2nnc(-c3ccc(-c4c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)c4-n4c5ccccc5c5ccccc54)cc3)o2)cc1.c1ccc(C2=NN=C(c3ccc(-c4c(-n5c6ccccc6c6ccccc65)c(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)c4-n4c5ccccc5c5ccccc54)cc3)C2)cc1.
What is the InChIKey of 2-phenyl-5-[4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]phenyl]-1,3,4-oxadiazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridinyl]carbazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(5-phenyl-4H-pyrazol-3-yl)phenyl]-3-pyridinyl]carbazole?
The InChIKey is AKCWORJWUIMDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H46N8.C68H43N7.C67H41N7O/c1-3-23-48(24-4-1)70-75-76-71(77(70)50-25-5-2-6-26-50)49-45-43-47(44-46-49)67-68(78-59-35-15-7-27-51(59)52-28-8-16-36-60(52)78)72(80-63-39-19-11-31-55(63)56-32-12-20-40-64(56)80)74-73(81-65-41-21-13-33-57(65)58-34-14-22-42-66(58)81)69(67)79-61-37-17-9-29-53(61)54-30-10-18-38-62(54)79;1-2-20-43(21-3-1)54-42-55(71-70-54)44-38-40-45(41-39-44)64-65(72-56-30-12-4-22-46(56)47-23-5-13-31-57(47)72)67(74-60-34-16-8-26-50(60)51-27-9-17-35-61(51)74)69-68(75-62-36-18-10-28-52(62)53-29-11-19-37-63(53)75)66(64)73-58-32-14-6-24-48(58)49-25-7-15-33-59(49)73;1-2-20-43(21-3-1)66-69-70-67(75-66)44-40-38-42(39-41-44)61-62(71-53-30-12-4-22-45(53)46-23-5-13-31-54(46)71)64(73-57-34-16-8-26-49(57)50-27-9-17-35-58(50)73)68-65(74-59-36-18-10-28-51(59)52-29-11-19-37-60(52)74)63(61)72-55-32-14-6-24-47(55)48-25-7-15-33-56(48)72/h1-46H;1-41H,42H2;1-41H.
What are the key properties of 2-phenyl-5-[4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]phenyl]-1,3,4-oxadiazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridinyl]carbazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(5-phenyl-4H-pyrazol-3-yl)phenyl]-3-pyridinyl]carbazole?
2-phenyl-5-[4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]phenyl]-1,3,4-oxadiazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridinyl]carbazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(5-phenyl-4H-pyrazol-3-yl)phenyl]-3-pyridinyl]carbazole has a molecular weight of 2953.48 g/mol, XLogP of 51.64, 22 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[4-[2,3,5,6-tetra(carbazol-9-yl)-4-pyridinyl]phenyl]-1,3,4-oxadiazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-3-pyridinyl]carbazole;9-[2,5,6-tri(carbazol-9-yl)-4-[4-(5-phenyl-4H-pyrazol-3-yl)phenyl]-3-pyridinyl]carbazole is sourced from PubChem (CID 157140401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).