9-phenyl-3-[9-phenyl-6-[5-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)-3-pyridinyl]carbazol-3-yl]-6-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]carbazole

C66H58N8 — CID 135250318

IUPAC9-phenyl-3-[9-phenyl-6-[5-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)-3-pyridinyl]carbazol-3-yl]-6-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]carbazole
SMILESCC1(C)N=C(c2cncc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(-c7cncc(C8=NC(C)(C)C(C)(C)N8c8ccccc8)c7)ccc5n6-c5ccccc5)ccc3n4-c3ccccc3)c2)NC1(C)C
InChIInChI=1S/C66H58N8/c1-63(2)64(3,4)70-61(69-63)48-32-46(38-67-40-48)44-26-30-59-55(36-44)53-34-42(24-28-57(53)72(59)50-18-12-9-13-19-50)43-25-29-58-54(35-43)56-37-45(27-31-60(56)73(58)51-20-14-10-15-21-51)47-33-49(41-68-39-47)62-71-65(5,6)66(7,8)74(62)52-22-16-11-17-23-52/h9-41H,1-8H3,(H,69,70)
InChIKeyTVZDKWBUTDGOHA-UHFFFAOYSA-N
MW963.25 g/mol
LogP15.40
Rot. Bonds8

About 9-phenyl-3-[9-phenyl-6-[5-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)-3-pyridinyl]carbazol-3-yl]-6-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]carbazole

9-phenyl-3-[9-phenyl-6-[5-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)-3-pyridinyl]carbazol-3-yl]-6-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]carbazole (PubChem CID 135250318) has the molecular formula C66H58N8 and a molecular weight of 963.25 g/mol. Its IUPAC name is 9-phenyl-3-[9-phenyl-6-[5-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)-3-pyridinyl]carbazol-3-yl]-6-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[9-phenyl-6-[5-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)-3-pyridinyl]carbazol-3-yl]-6-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]carbazole
PubChem CID135250318
Molecular FormulaC66H58N8
Molecular Weight963.25 g/mol
Exact Mass962.48
IUPAC Name9-phenyl-3-[9-phenyl-6-[5-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)-3-pyridinyl]carbazol-3-yl]-6-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]carbazole
SMILESCC1(C)N=C(c2cncc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(-c7cncc(C8=NC(C)(C)C(C)(C)N8c8ccccc8)c7)ccc5n6-c5ccccc5)ccc3n4-c3ccccc3)c2)NC1(C)C
InChIInChI=1S/C66H58N8/c1-63(2)64(3,4)70-61(69-63)48-32-46(38-67-40-48)44-26-30-59-55(36-44)53-34-42(24-28-57(53)72(59)50-18-12-9-13-19-50)43-25-29-58-54(35-43)56-37-45(27-31-60(56)73(58)51-20-14-10-15-21-51)47-33-49(41-68-39-47)62-71-65(5,6)66(7,8)74(62)52-22-16-11-17-23-52/h9-41H,1-8H3,(H,69,70)
InChIKeyTVZDKWBUTDGOHA-UHFFFAOYSA-N
XLogP15.40
TPSA75.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.25
LogP ≤ 515.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 9-phenyl-3-[9-phenyl-6-[5-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)-3-pyridinyl]carbazol-3-yl]-6-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[9-phenyl-6-[5-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)-3-pyridinyl]carbazol-3-yl]-6-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]carbazole?
The IUPAC name of 9-phenyl-3-[9-phenyl-6-[5-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)-3-pyridinyl]carbazol-3-yl]-6-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]carbazole (CID 135250318) is 9-phenyl-3-[9-phenyl-6-[5-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)-3-pyridinyl]carbazol-3-yl]-6-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]carbazole.
What is the SMILES notation for 9-phenyl-3-[9-phenyl-6-[5-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)-3-pyridinyl]carbazol-3-yl]-6-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]carbazole?
The canonical SMILES for 9-phenyl-3-[9-phenyl-6-[5-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)-3-pyridinyl]carbazol-3-yl]-6-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]carbazole is CC1(C)N=C(c2cncc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5cc(-c7cncc(C8=NC(C)(C)C(C)(C)N8c8ccccc8)c7)ccc5n6-c5ccccc5)ccc3n4-c3ccccc3)c2)NC1(C)C.
What is the InChIKey of 9-phenyl-3-[9-phenyl-6-[5-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)-3-pyridinyl]carbazol-3-yl]-6-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]carbazole?
The InChIKey is TVZDKWBUTDGOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H58N8/c1-63(2)64(3,4)70-61(69-63)48-32-46(38-67-40-48)44-26-30-59-55(36-44)53-34-42(24-28-57(53)72(59)50-18-12-9-13-19-50)43-25-29-58-54(35-43)56-37-45(27-31-60(56)73(58)51-20-14-10-15-21-51)47-33-49(41-68-39-47)62-71-65(5,6)66(7,8)74(62)52-22-16-11-17-23-52/h9-41H,1-8H3,(H,69,70).
What are the key properties of 9-phenyl-3-[9-phenyl-6-[5-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)-3-pyridinyl]carbazol-3-yl]-6-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]carbazole?
9-phenyl-3-[9-phenyl-6-[5-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)-3-pyridinyl]carbazol-3-yl]-6-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]carbazole has a molecular weight of 963.25 g/mol, XLogP of 15.40, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[9-phenyl-6-[5-(4,4,5,5-tetramethyl-1H-imidazol-2-yl)-3-pyridinyl]carbazol-3-yl]-6-[5-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]carbazole is sourced from PubChem (CID 135250318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).