11,11-diphenyl-5-[2-phenyl-6-(11-phenyl-11H-indeno[1,2-b]carbazol-5-yl)pyrimidin-4-yl]indeno[1,2-b]carbazole

C66H42N4 — CID 123343063

IUPAC11,11-diphenyl-5-[2-phenyl-6-(11-phenyl-11H-indeno[1,2-b]carbazol-5-yl)pyrimidin-4-yl]indeno[1,2-b]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5c3ccccc3)cc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C66H42N4/c1-5-21-42(22-6-1)64-50-33-14-13-29-46(50)51-39-60-53(37-55(51)64)48-31-16-19-35-58(48)69(60)62-41-63(68-65(67-62)43-23-7-2-8-24-43)70-59-36-20-17-32-49(59)54-38-57-52(40-61(54)70)47-30-15-18-34-56(47)66(57,44-25-9-3-10-26-44)45-27-11-4-12-28-45/h1-41,64H
InChIKeyMVXSZLHHKAODKZ-UHFFFAOYSA-N
MW891.09 g/mol
LogP15.86
Rot. Bonds6

About 11,11-diphenyl-5-[2-phenyl-6-(11-phenyl-11H-indeno[1,2-b]carbazol-5-yl)pyrimidin-4-yl]indeno[1,2-b]carbazole

11,11-diphenyl-5-[2-phenyl-6-(11-phenyl-11H-indeno[1,2-b]carbazol-5-yl)pyrimidin-4-yl]indeno[1,2-b]carbazole (PubChem CID 123343063) has the molecular formula C66H42N4 and a molecular weight of 891.09 g/mol. Its IUPAC name is 11,11-diphenyl-5-[2-phenyl-6-(11-phenyl-11H-indeno[1,2-b]carbazol-5-yl)pyrimidin-4-yl]indeno[1,2-b]carbazole.

Molecular Properties

Compound Name11,11-diphenyl-5-[2-phenyl-6-(11-phenyl-11H-indeno[1,2-b]carbazol-5-yl)pyrimidin-4-yl]indeno[1,2-b]carbazole
PubChem CID123343063
Molecular FormulaC66H42N4
Molecular Weight891.09 g/mol
Exact Mass890.34
IUPAC Name11,11-diphenyl-5-[2-phenyl-6-(11-phenyl-11H-indeno[1,2-b]carbazol-5-yl)pyrimidin-4-yl]indeno[1,2-b]carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5c3ccccc3)cc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C66H42N4/c1-5-21-42(22-6-1)64-50-33-14-13-29-46(50)51-39-60-53(37-55(51)64)48-31-16-19-35-58(48)69(60)62-41-63(68-65(67-62)43-23-7-2-8-24-43)70-59-36-20-17-32-49(59)54-38-57-52(40-61(54)70)47-30-15-18-34-56(47)66(57,44-25-9-3-10-26-44)45-27-11-4-12-28-45/h1-41,64H
InChIKeyMVXSZLHHKAODKZ-UHFFFAOYSA-N
XLogP15.86
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.09
LogP ≤ 515.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-[6-(12,12-diphenylindeno[2,1-a]carbazol-11-yl)-2-phenylpyrimidin-4-yl]-12,12-diphenylindeno[2,1-a]carbazole;5-[6-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole;5-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-11,11-diphenylindeno[1,2-b]carbazole
CID 159275309
5-[6-(11-cyclohexa-2,4-dien-1-yl-11-phenylindeno[1,2-b]carbazol-5-yl)-2-phenylpyrimidin-4-yl]-11,11-diphenylindeno[1,2-b]carbazole
CID 134447579
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-5,25,25-triphenyl-5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2(14),3,6,8,10,12,16,18(26),19,21,23-dodecaene
CID 67472161
2-[4-(10,10-dimethyl-12H-indeno[2,3-b]fluoren-12-yl)phenyl]-4,6-diphenylpyrimidine;7,7-diphenyl-5-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]indeno[2,1-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-2,7,7-triphenylindeno[2,1-b]carbazole
CID 158254689
11,11-bis(4-carbazol-9-ylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)indeno[1,2-b]carbazole
CID 87413796
5-[4-(4-carbazol-9-ylphenyl)phenyl]-11,11-diphenylindeno[1,2-b]carbazole
CID 168783626
2,5-bis(11,11-diphenylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 166572309
4-[4-(11,11-diphenylindeno[1,2-b]carbazol-5-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 130219353
CID 162258827
CID 162258827
5-(2,6-diphenylpyrimidin-4-yl)-15,15-dimethyl-25-phenyl-5,25-diazaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6,8,10,12,17,19,21,23,26-dodecaene
CID 118242820
9-[3-(9H-fluoren-9-yl)phenyl]-9-phenylfluorene
CID 123461453
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 58059235

Frequently Asked Questions

What is the IUPAC name of 11,11-diphenyl-5-[2-phenyl-6-(11-phenyl-11H-indeno[1,2-b]carbazol-5-yl)pyrimidin-4-yl]indeno[1,2-b]carbazole?
The IUPAC name of 11,11-diphenyl-5-[2-phenyl-6-(11-phenyl-11H-indeno[1,2-b]carbazol-5-yl)pyrimidin-4-yl]indeno[1,2-b]carbazole (CID 123343063) is 11,11-diphenyl-5-[2-phenyl-6-(11-phenyl-11H-indeno[1,2-b]carbazol-5-yl)pyrimidin-4-yl]indeno[1,2-b]carbazole.
What is the SMILES notation for 11,11-diphenyl-5-[2-phenyl-6-(11-phenyl-11H-indeno[1,2-b]carbazol-5-yl)pyrimidin-4-yl]indeno[1,2-b]carbazole?
The canonical SMILES for 11,11-diphenyl-5-[2-phenyl-6-(11-phenyl-11H-indeno[1,2-b]carbazol-5-yl)pyrimidin-4-yl]indeno[1,2-b]carbazole is c1ccc(-c2nc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5c3ccccc3)cc(-n3c4ccccc4c4cc5c(cc43)-c3ccccc3C5(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 11,11-diphenyl-5-[2-phenyl-6-(11-phenyl-11H-indeno[1,2-b]carbazol-5-yl)pyrimidin-4-yl]indeno[1,2-b]carbazole?
The InChIKey is MVXSZLHHKAODKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N4/c1-5-21-42(22-6-1)64-50-33-14-13-29-46(50)51-39-60-53(37-55(51)64)48-31-16-19-35-58(48)69(60)62-41-63(68-65(67-62)43-23-7-2-8-24-43)70-59-36-20-17-32-49(59)54-38-57-52(40-61(54)70)47-30-15-18-34-56(47)66(57,44-25-9-3-10-26-44)45-27-11-4-12-28-45/h1-41,64H.
What are the key properties of 11,11-diphenyl-5-[2-phenyl-6-(11-phenyl-11H-indeno[1,2-b]carbazol-5-yl)pyrimidin-4-yl]indeno[1,2-b]carbazole?
11,11-diphenyl-5-[2-phenyl-6-(11-phenyl-11H-indeno[1,2-b]carbazol-5-yl)pyrimidin-4-yl]indeno[1,2-b]carbazole has a molecular weight of 891.09 g/mol, XLogP of 15.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-diphenyl-5-[2-phenyl-6-(11-phenyl-11H-indeno[1,2-b]carbazol-5-yl)pyrimidin-4-yl]indeno[1,2-b]carbazole is sourced from PubChem (CID 123343063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).