3,6-bis(4-carbazol-9-ylphenyl)-9-[4-(3,5-diphenylphenyl)phenyl]carbazole;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-phenylphenyl)carbazole-3,6-diamine;N,N,9-triphenyl-6-[phenyl(pyridin-1-ium-1-yl)methyl]carbazol-3-amine

C216H149N12O2+ — CID 157263457

IUPAC3,6-bis(4-carbazol-9-ylphenyl)-9-[4-(3,5-diphenylphenyl)phenyl]carbazole;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-phenylphenyl)carbazole-3,6-diamine;N,N,9-triphenyl-6-[phenyl(pyridin-1-ium-1-yl)methyl]carbazol-3-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5c5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc54)cc3)c2)cc1.c1ccc(-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)cc1.c1ccc(-n2c3ccc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)cc3c3cc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)ccc32)cc1.c1ccc(C(c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccccc4)ccc2n3-c2ccccc2)[n+]2ccccc2)cc1
InChIInChI=1S/C72H47N3.C54H35N3O2.C48H35N3.C42H32N3/c1-3-15-48(16-4-1)55-43-56(49-17-5-2-6-18-49)45-57(44-55)52-31-39-60(40-32-52)75-71-41-33-53(50-27-35-58(36-28-50)73-67-23-11-7-19-61(67)62-20-8-12-24-68(62)73)46-65(71)66-47-54(34-42-72(66)75)51-29-37-59(38-30-51)74-69-25-13-9-21-63(69)64-22-10-14-26-70(64)74;1-2-12-40(13-3-1)55-45-32-26-38(36-22-28-41(29-23-36)56-47-14-4-8-18-51(47)58-52-19-9-5-15-48(52)56)34-43(45)44-35-39(27-33-46(44)55)37-24-30-42(31-25-37)57-49-16-6-10-20-53(49)59-54-21-11-7-17-50(54)57;1-6-16-36(17-7-1)37-26-28-42(29-27-37)51-47-32-30-43(49(38-18-8-2-9-19-38)39-20-10-3-11-21-39)34-45(47)46-35-44(31-33-48(46)51)50(40-22-12-4-13-23-40)41-24-14-5-15-25-41;1-6-16-32(17-7-1)42(43-28-14-5-15-29-43)33-24-26-40-38(30-33)39-31-37(25-27-41(39)45(40)36-22-12-4-13-23-36)44(34-18-8-2-9-19-34)35-20-10-3-11-21-35/h1-47H;1-35H;1-35H;1-31,42H/q;;;+1
InChIKeyPCXDMUVIOWMZRW-UHFFFAOYSA-N
MW2944.65 g/mol
LogP58.15
Rot. Bonds28

About 3,6-bis(4-carbazol-9-ylphenyl)-9-[4-(3,5-diphenylphenyl)phenyl]carbazole;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-phenylphenyl)carbazole-3,6-diamine;N,N,9-triphenyl-6-[phenyl(pyridin-1-ium-1-yl)methyl]carbazol-3-amine

3,6-bis(4-carbazol-9-ylphenyl)-9-[4-(3,5-diphenylphenyl)phenyl]carbazole;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-phenylphenyl)carbazole-3,6-diamine;N,N,9-triphenyl-6-[phenyl(pyridin-1-ium-1-yl)methyl]carbazol-3-amine (PubChem CID 157263457) has the molecular formula C216H149N12O2+ and a molecular weight of 2944.65 g/mol. Its IUPAC name is 3,6-bis(4-carbazol-9-ylphenyl)-9-[4-(3,5-diphenylphenyl)phenyl]carbazole;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-phenylphenyl)carbazole-3,6-diamine;N,N,9-triphenyl-6-[phenyl(pyridin-1-ium-1-yl)methyl]carbazol-3-amine.

Molecular Properties

Compound Name3,6-bis(4-carbazol-9-ylphenyl)-9-[4-(3,5-diphenylphenyl)phenyl]carbazole;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-phenylphenyl)carbazole-3,6-diamine;N,N,9-triphenyl-6-[phenyl(pyridin-1-ium-1-yl)methyl]carbazol-3-amine
PubChem CID157263457
Molecular FormulaC216H149N12O2+
Molecular Weight2944.65 g/mol
Exact Mass2942.19
IUPAC Name3,6-bis(4-carbazol-9-ylphenyl)-9-[4-(3,5-diphenylphenyl)phenyl]carbazole;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-phenylphenyl)carbazole-3,6-diamine;N,N,9-triphenyl-6-[phenyl(pyridin-1-ium-1-yl)methyl]carbazol-3-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5c5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc54)cc3)c2)cc1.c1ccc(-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)cc1.c1ccc(-n2c3ccc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)cc3c3cc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)ccc32)cc1.c1ccc(C(c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccccc4)ccc2n3-c2ccccc2)[n+]2ccccc2)cc1
InChIInChI=1S/C72H47N3.C54H35N3O2.C48H35N3.C42H32N3/c1-3-15-48(16-4-1)55-43-56(49-17-5-2-6-18-49)45-57(44-55)52-31-39-60(40-32-52)75-71-41-33-53(50-27-35-58(36-28-50)73-67-23-11-7-19-61(67)62-20-8-12-24-68(62)73)46-65(71)66-47-54(34-42-72(66)75)51-29-37-59(38-30-51)74-69-25-13-9-21-63(69)64-22-10-14-26-70(64)74;1-2-12-40(13-3-1)55-45-32-26-38(36-22-28-41(29-23-36)56-47-14-4-8-18-51(47)58-52-19-9-5-15-48(52)56)34-43(45)44-35-39(27-33-46(44)55)37-24-30-42(31-25-37)57-49-16-6-10-20-53(49)59-54-21-11-7-17-50(54)57;1-6-16-36(17-7-1)37-26-28-42(29-27-37)51-47-32-30-43(49(38-18-8-2-9-19-38)39-20-10-3-11-21-39)34-45(47)46-35-44(31-33-48(46)51)50(40-22-12-4-13-23-40)41-24-14-5-15-25-41;1-6-16-32(17-7-1)42(43-28-14-5-15-29-43)33-24-26-40-38(30-33)39-31-37(25-27-41(39)45(40)36-22-12-4-13-23-36)44(34-18-8-2-9-19-34)35-20-10-3-11-21-35/h1-47H;1-35H;1-35H;1-31,42H/q;;;+1
InChIKeyPCXDMUVIOWMZRW-UHFFFAOYSA-N
XLogP58.15
TPSA68.12 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds28
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002944.65
LogP ≤ 558.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3,6-bis(4-carbazol-9-ylphenyl)-9-[4-(3,5-diphenylphenyl)phenyl]carbazole;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-phenylphenyl)carbazole-3,6-diamine;N,N,9-triphenyl-6-[phenyl(pyridin-1-ium-1-yl)methyl]carbazol-3-amine with MolForge

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Related Compounds

YoYo-1
CID 6438136
YoYo-3
CID 6444584
3-[dimethyl-[3-[4-[(E)-(3-methyl-1,3-benzoxazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-[4-[(E)-(3-methyl-1,3-benzoxazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azanium tetraiodide
CID 155293672
Yoyo 1;yoyo1
CID 119190
3-[Dimethyl-[3-[4-[(3-methyl-1,3-benzoxazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azaniumyl]propyl-dimethyl-[3-[4-[(3-methyl-1,3-benzoxazol-2-ylidene)methyl]quinolin-1-ium-1-yl]propyl]azanium
CID 119191
[7-Dimethylazaniumylidene-1,9-bis[4-[3-(3-methyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]nonan-3-ylidene]-dimethylazanium tetraiodide
CID 202482
[7-Dimethylazaniumylidene-1,9-bis[4-[3-(3-methyl-1,3-benzoxazol-2-ylidene)prop-1-enyl]quinolin-1-ium-1-yl]nonan-3-ylidene]-dimethylazanium
CID 202483
YoYo-1 tetracation
CID 10212583
Thiazole orange dimer YOYO 1
CID 15817745
1,1'-[3,7-bis(dimethyliminio)nonane-1,9-diyl]bis{4-[3-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]quinolinium} tetraiodide
CID 25137916
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
9-[2-[2-Carbazol-9-yl-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole;3-[4-[5-cyano-2-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-4-(3,6-ditert-butylcarbazol-9-yl)benzonitrile;3-[4-[5-cyano-2-(9,9-dimethylacridin-10-yl)phenyl]-2,5-dimethylphenyl]-4-(9,9-dimethylacridin-10-yl)benzonitrile;3-[4-(5-cyano-2-phenoxazin-10-ylphenyl)-2,5-dimethylphenyl]-4-phenoxazin-10-ylbenzonitrile;3,6-ditert-butyl-9-[2-[2-(3,6-dimethylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole
CID 157743145

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-carbazol-9-ylphenyl)-9-[4-(3,5-diphenylphenyl)phenyl]carbazole;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-phenylphenyl)carbazole-3,6-diamine;N,N,9-triphenyl-6-[phenyl(pyridin-1-ium-1-yl)methyl]carbazol-3-amine?
The IUPAC name of 3,6-bis(4-carbazol-9-ylphenyl)-9-[4-(3,5-diphenylphenyl)phenyl]carbazole;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-phenylphenyl)carbazole-3,6-diamine;N,N,9-triphenyl-6-[phenyl(pyridin-1-ium-1-yl)methyl]carbazol-3-amine (CID 157263457) is 3,6-bis(4-carbazol-9-ylphenyl)-9-[4-(3,5-diphenylphenyl)phenyl]carbazole;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-phenylphenyl)carbazole-3,6-diamine;N,N,9-triphenyl-6-[phenyl(pyridin-1-ium-1-yl)methyl]carbazol-3-amine.
What is the SMILES notation for 3,6-bis(4-carbazol-9-ylphenyl)-9-[4-(3,5-diphenylphenyl)phenyl]carbazole;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-phenylphenyl)carbazole-3,6-diamine;N,N,9-triphenyl-6-[phenyl(pyridin-1-ium-1-yl)methyl]carbazol-3-amine?
The canonical SMILES for 3,6-bis(4-carbazol-9-ylphenyl)-9-[4-(3,5-diphenylphenyl)phenyl]carbazole;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-phenylphenyl)carbazole-3,6-diamine;N,N,9-triphenyl-6-[phenyl(pyridin-1-ium-1-yl)methyl]carbazol-3-amine is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(-n4c5ccc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cc5c5cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)ccc54)cc3)c2)cc1.c1ccc(-c2ccc(-n3c4ccc(N(c5ccccc5)c5ccccc5)cc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)cc2)cc1.c1ccc(-n2c3ccc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)cc3c3cc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)ccc32)cc1.c1ccc(C(c2ccc3c(c2)c2cc(N(c4ccccc4)c4ccccc4)ccc2n3-c2ccccc2)[n+]2ccccc2)cc1.
What is the InChIKey of 3,6-bis(4-carbazol-9-ylphenyl)-9-[4-(3,5-diphenylphenyl)phenyl]carbazole;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-phenylphenyl)carbazole-3,6-diamine;N,N,9-triphenyl-6-[phenyl(pyridin-1-ium-1-yl)methyl]carbazol-3-amine?
The InChIKey is PCXDMUVIOWMZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H47N3.C54H35N3O2.C48H35N3.C42H32N3/c1-3-15-48(16-4-1)55-43-56(49-17-5-2-6-18-49)45-57(44-55)52-31-39-60(40-32-52)75-71-41-33-53(50-27-35-58(36-28-50)73-67-23-11-7-19-61(67)62-20-8-12-24-68(62)73)46-65(71)66-47-54(34-42-72(66)75)51-29-37-59(38-30-51)74-69-25-13-9-21-63(69)64-22-10-14-26-70(64)74;1-2-12-40(13-3-1)55-45-32-26-38(36-22-28-41(29-23-36)56-47-14-4-8-18-51(47)58-52-19-9-5-15-48(52)56)34-43(45)44-35-39(27-33-46(44)55)37-24-30-42(31-25-37)57-49-16-6-10-20-53(49)59-54-21-11-7-17-50(54)57;1-6-16-36(17-7-1)37-26-28-42(29-27-37)51-47-32-30-43(49(38-18-8-2-9-19-38)39-20-10-3-11-21-39)34-45(47)46-35-44(31-33-48(46)51)50(40-22-12-4-13-23-40)41-24-14-5-15-25-41;1-6-16-32(17-7-1)42(43-28-14-5-15-29-43)33-24-26-40-38(30-33)39-31-37(25-27-41(39)45(40)36-22-12-4-13-23-36)44(34-18-8-2-9-19-34)35-20-10-3-11-21-35/h1-47H;1-35H;1-35H;1-31,42H/q;;;+1.
What are the key properties of 3,6-bis(4-carbazol-9-ylphenyl)-9-[4-(3,5-diphenylphenyl)phenyl]carbazole;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-phenylphenyl)carbazole-3,6-diamine;N,N,9-triphenyl-6-[phenyl(pyridin-1-ium-1-yl)methyl]carbazol-3-amine?
3,6-bis(4-carbazol-9-ylphenyl)-9-[4-(3,5-diphenylphenyl)phenyl]carbazole;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-phenylphenyl)carbazole-3,6-diamine;N,N,9-triphenyl-6-[phenyl(pyridin-1-ium-1-yl)methyl]carbazol-3-amine has a molecular weight of 2944.65 g/mol, XLogP of 58.15, 28 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-carbazol-9-ylphenyl)-9-[4-(3,5-diphenylphenyl)phenyl]carbazole;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine;3-N,3-N,6-N,6-N-tetraphenyl-9-(4-phenylphenyl)carbazole-3,6-diamine;N,N,9-triphenyl-6-[phenyl(pyridin-1-ium-1-yl)methyl]carbazol-3-amine is sourced from PubChem (CID 157263457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).