bis(9-[3-[4-[2-(3-carbazol-9-yl-2,6-dimethylphenyl)-4-pyridinyl]-2-pyridinyl]-2,4-dimethylphenyl]carbazole);9-[3-[4-[2-(3-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(4-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(5-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole

C244H178N20 — CID 157309388

IUPACbis(9-[3-[4-[2-(3-carbazol-9-yl-2,6-dimethylphenyl)-4-pyridinyl]-2-pyridinyl]-2,4-dimethylphenyl]carbazole);9-[3-[4-[2-(3-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(4-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(5-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole
SMILESCc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cc(-c2ccnc(-c3cc(-n4c5ccccc5c5ccccc54)ccc3C)c2)ccn1.Cc1ccc(-n2c3ccccc3c3ccccc32)c(C)c1-c1cc(-c2ccnc(-c3c(C)ccc(-n4c5ccccc5c5ccccc54)c3C)c2)ccn1.Cc1ccc(-n2c3ccccc3c3ccccc32)c(C)c1-c1cc(-c2ccnc(-c3c(C)ccc(-n4c5ccccc5c5ccccc54)c3C)c2)ccn1.Cc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(-c2ccnc(-c3cc(-n4c5ccccc5c5ccccc54)ccc3C)c2)ccn1.Cc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(-c2ccnc(-c3cccc(-n4c5ccccc5c5ccccc54)c3C)c2)ccn1
InChIInChI=1S/2C50H38N4.3C48H34N4/c2*1-31-21-23-43(53-45-17-9-5-13-37(45)38-14-6-10-18-46(38)53)33(3)49(31)41-29-35(25-27-51-41)36-26-28-52-42(30-36)50-32(2)22-24-44(34(50)4)54-47-19-11-7-15-39(47)40-16-8-12-20-48(40)54;1-31-22-23-35(51-45-17-7-3-12-37(45)38-13-4-8-18-46(38)51)30-41(31)43-29-34(25-27-50-43)33-24-26-49-42(28-33)36-16-11-21-44(32(36)2)52-47-19-9-5-14-39(47)40-15-6-10-20-48(40)52;1-31-19-21-35(51-45-15-7-3-11-37(45)38-12-4-8-16-46(38)51)29-41(31)43-27-33(23-25-49-43)34-24-26-50-44(28-34)42-30-36(22-20-32(42)2)52-47-17-9-5-13-39(47)40-14-6-10-18-48(40)52;1-31-19-20-36(52-47-17-9-5-13-40(47)41-14-6-10-18-48(41)52)30-42(31)44-29-34(24-26-50-44)33-23-25-49-43(28-33)37-22-21-35(27-32(37)2)51-45-15-7-3-11-38(45)39-12-4-8-16-46(39)51/h2*5-30H,1-4H3;3*3-30H,1-2H3
InChIKeyBCVYYDOWPLCKJE-UHFFFAOYSA-N
MW3390.25 g/mol
LogP62.68
Rot. Bonds25

About bis(9-[3-[4-[2-(3-carbazol-9-yl-2,6-dimethylphenyl)-4-pyridinyl]-2-pyridinyl]-2,4-dimethylphenyl]carbazole);9-[3-[4-[2-(3-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(4-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(5-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole

bis(9-[3-[4-[2-(3-carbazol-9-yl-2,6-dimethylphenyl)-4-pyridinyl]-2-pyridinyl]-2,4-dimethylphenyl]carbazole);9-[3-[4-[2-(3-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(4-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(5-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole (PubChem CID 157309388) has the molecular formula C244H178N20 and a molecular weight of 3390.25 g/mol. Its IUPAC name is bis(9-[3-[4-[2-(3-carbazol-9-yl-2,6-dimethylphenyl)-4-pyridinyl]-2-pyridinyl]-2,4-dimethylphenyl]carbazole);9-[3-[4-[2-(3-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(4-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(5-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole.

Molecular Properties

Compound Namebis(9-[3-[4-[2-(3-carbazol-9-yl-2,6-dimethylphenyl)-4-pyridinyl]-2-pyridinyl]-2,4-dimethylphenyl]carbazole);9-[3-[4-[2-(3-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(4-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(5-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole
PubChem CID157309388
Molecular FormulaC244H178N20
Molecular Weight3390.25 g/mol
Exact Mass3387.45
IUPAC Namebis(9-[3-[4-[2-(3-carbazol-9-yl-2,6-dimethylphenyl)-4-pyridinyl]-2-pyridinyl]-2,4-dimethylphenyl]carbazole);9-[3-[4-[2-(3-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(4-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(5-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole
SMILESCc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cc(-c2ccnc(-c3cc(-n4c5ccccc5c5ccccc54)ccc3C)c2)ccn1.Cc1ccc(-n2c3ccccc3c3ccccc32)c(C)c1-c1cc(-c2ccnc(-c3c(C)ccc(-n4c5ccccc5c5ccccc54)c3C)c2)ccn1.Cc1ccc(-n2c3ccccc3c3ccccc32)c(C)c1-c1cc(-c2ccnc(-c3c(C)ccc(-n4c5ccccc5c5ccccc54)c3C)c2)ccn1.Cc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(-c2ccnc(-c3cc(-n4c5ccccc5c5ccccc54)ccc3C)c2)ccn1.Cc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(-c2ccnc(-c3cccc(-n4c5ccccc5c5ccccc54)c3C)c2)ccn1
InChIInChI=1S/2C50H38N4.3C48H34N4/c2*1-31-21-23-43(53-45-17-9-5-13-37(45)38-14-6-10-18-46(38)53)33(3)49(31)41-29-35(25-27-51-41)36-26-28-52-42(30-36)50-32(2)22-24-44(34(50)4)54-47-19-11-7-15-39(47)40-16-8-12-20-48(40)54;1-31-22-23-35(51-45-17-7-3-12-37(45)38-13-4-8-18-46(38)51)30-41(31)43-29-34(25-27-50-43)33-24-26-49-42(28-33)36-16-11-21-44(32(36)2)52-47-19-9-5-14-39(47)40-15-6-10-20-48(40)52;1-31-19-21-35(51-45-15-7-3-11-37(45)38-12-4-8-16-46(38)51)29-41(31)43-27-33(23-25-49-43)34-24-26-50-44(28-34)42-30-36(22-20-32(42)2)52-47-17-9-5-13-39(47)40-14-6-10-18-48(40)52;1-31-19-20-36(52-47-17-9-5-13-40(47)41-14-6-10-18-48(41)52)30-42(31)44-29-34(24-26-50-44)33-23-25-49-43(28-33)37-22-21-35(27-32(37)2)51-45-15-7-3-11-38(45)39-12-4-8-16-46(39)51/h2*5-30H,1-4H3;3*3-30H,1-2H3
InChIKeyBCVYYDOWPLCKJE-UHFFFAOYSA-N
XLogP62.68
TPSA178.20 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003390.25
LogP ≤ 562.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze bis(9-[3-[4-[2-(3-carbazol-9-yl-2,6-dimethylphenyl)-4-pyridinyl]-2-pyridinyl]-2,4-dimethylphenyl]carbazole);9-[3-[4-[2-(3-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(4-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(5-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole with MolForge

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Related Compounds

Ru(II)(phen)2(phen-cyclen-2H+)
CID 16683884
Ru(II)(phen)2(phen-cyclam-Ni(II)
CID 16683885
Ru(II)(phen)2(phen-cyclam-Cu(II)
CID 16683886
Ru(II)(phen)2(phen-cyclam-Fe(III))
CID 16683887
Ru(II)(phen)2(phen-cyclam-Co(III)-Cl2)
CID 16683888
Ru(II)(bpy)2(Mebpy-cyclam-Ni(II))
CID 16683889
Ru(II)(bpy)2(Mebpy-cyclam-Zn(II))
CID 16683890
Ru(II)(bpy)2(Mebpy-cyclam-Cu(II))
CID 16683891
Ru(II)(bpy)2(Mebpy-cyclam-Fe(III)-Cl2)
CID 16683892
Ru(II)(bpy)2(Mebpy-cyclam-Co(III)-Cl2)
CID 16683893
Ru(II)(phen)2(phen-cyclam-2H+)
CID 16683894
(Mu-11,11'-Bidipyrido[3,2-A:2',3'-C]phenazine-1kappa~2~n~4~,N~5~:2kappa~2~n~4'~,N~5'~)[tetrakis(1,10-Phenanthroline-Kappa~2~n~1~,N~10~)]diruthenium
CID 73010381

Frequently Asked Questions

What is the IUPAC name of bis(9-[3-[4-[2-(3-carbazol-9-yl-2,6-dimethylphenyl)-4-pyridinyl]-2-pyridinyl]-2,4-dimethylphenyl]carbazole);9-[3-[4-[2-(3-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(4-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(5-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole?
The IUPAC name of bis(9-[3-[4-[2-(3-carbazol-9-yl-2,6-dimethylphenyl)-4-pyridinyl]-2-pyridinyl]-2,4-dimethylphenyl]carbazole);9-[3-[4-[2-(3-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(4-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(5-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole (CID 157309388) is bis(9-[3-[4-[2-(3-carbazol-9-yl-2,6-dimethylphenyl)-4-pyridinyl]-2-pyridinyl]-2,4-dimethylphenyl]carbazole);9-[3-[4-[2-(3-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(4-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(5-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole.
What is the SMILES notation for bis(9-[3-[4-[2-(3-carbazol-9-yl-2,6-dimethylphenyl)-4-pyridinyl]-2-pyridinyl]-2,4-dimethylphenyl]carbazole);9-[3-[4-[2-(3-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(4-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(5-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole?
The canonical SMILES for bis(9-[3-[4-[2-(3-carbazol-9-yl-2,6-dimethylphenyl)-4-pyridinyl]-2-pyridinyl]-2,4-dimethylphenyl]carbazole);9-[3-[4-[2-(3-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(4-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(5-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole is Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cc(-c2ccnc(-c3cc(-n4c5ccccc5c5ccccc54)ccc3C)c2)ccn1.Cc1ccc(-n2c3ccccc3c3ccccc32)c(C)c1-c1cc(-c2ccnc(-c3c(C)ccc(-n4c5ccccc5c5ccccc54)c3C)c2)ccn1.Cc1ccc(-n2c3ccccc3c3ccccc32)c(C)c1-c1cc(-c2ccnc(-c3c(C)ccc(-n4c5ccccc5c5ccccc54)c3C)c2)ccn1.Cc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(-c2ccnc(-c3cc(-n4c5ccccc5c5ccccc54)ccc3C)c2)ccn1.Cc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cc(-c2ccnc(-c3cccc(-n4c5ccccc5c5ccccc54)c3C)c2)ccn1.
What is the InChIKey of bis(9-[3-[4-[2-(3-carbazol-9-yl-2,6-dimethylphenyl)-4-pyridinyl]-2-pyridinyl]-2,4-dimethylphenyl]carbazole);9-[3-[4-[2-(3-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(4-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(5-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole?
The InChIKey is BCVYYDOWPLCKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H38N4.3C48H34N4/c2*1-31-21-23-43(53-45-17-9-5-13-37(45)38-14-6-10-18-46(38)53)33(3)49(31)41-29-35(25-27-51-41)36-26-28-52-42(30-36)50-32(2)22-24-44(34(50)4)54-47-19-11-7-15-39(47)40-16-8-12-20-48(40)54;1-31-22-23-35(51-45-17-7-3-12-37(45)38-13-4-8-18-46(38)51)30-41(31)43-29-34(25-27-50-43)33-24-26-49-42(28-33)36-16-11-21-44(32(36)2)52-47-19-9-5-14-39(47)40-15-6-10-20-48(40)52;1-31-19-21-35(51-45-15-7-3-11-37(45)38-12-4-8-16-46(38)51)29-41(31)43-27-33(23-25-49-43)34-24-26-50-44(28-34)42-30-36(22-20-32(42)2)52-47-17-9-5-13-39(47)40-14-6-10-18-48(40)52;1-31-19-20-36(52-47-17-9-5-13-40(47)41-14-6-10-18-48(41)52)30-42(31)44-29-34(24-26-50-44)33-23-25-49-43(28-33)37-22-21-35(27-32(37)2)51-45-15-7-3-11-38(45)39-12-4-8-16-46(39)51/h2*5-30H,1-4H3;3*3-30H,1-2H3.
What are the key properties of bis(9-[3-[4-[2-(3-carbazol-9-yl-2,6-dimethylphenyl)-4-pyridinyl]-2-pyridinyl]-2,4-dimethylphenyl]carbazole);9-[3-[4-[2-(3-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(4-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(5-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole?
bis(9-[3-[4-[2-(3-carbazol-9-yl-2,6-dimethylphenyl)-4-pyridinyl]-2-pyridinyl]-2,4-dimethylphenyl]carbazole);9-[3-[4-[2-(3-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(4-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(5-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole has a molecular weight of 3390.25 g/mol, XLogP of 62.68, 25 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9-[3-[4-[2-(3-carbazol-9-yl-2,6-dimethylphenyl)-4-pyridinyl]-2-pyridinyl]-2,4-dimethylphenyl]carbazole);9-[3-[4-[2-(3-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(4-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole;9-[3-[4-[2-(5-carbazol-9-yl-2-methylphenyl)-4-pyridinyl]-2-pyridinyl]-4-methylphenyl]carbazole is sourced from PubChem (CID 157309388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).