9-[5-(2,7-diphenylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-diphenylcarbazole

C61H40F3N3 — CID 146393821

IUPAC9-[5-(2,7-diphenylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-diphenylcarbazole
SMILESCc1cc(-c2cc(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)ncc2-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)cc(C(F)(F)F)c1
InChIInChI=1S/C61H40F3N3/c1-39-30-48(32-49(31-39)61(62,63)64)54-37-60(67-57-35-46(42-18-10-4-11-19-42)24-28-52(57)53-29-25-47(36-58(53)67)43-20-12-5-13-21-43)65-38-59(54)66-55-33-44(40-14-6-2-7-15-40)22-26-50(55)51-27-23-45(34-56(51)66)41-16-8-3-9-17-41/h2-38H,1H3
InChIKeyUOZILQZBPAELCX-UHFFFAOYSA-N
MW872.01 g/mol
LogP16.94
Rot. Bonds7

About 9-[5-(2,7-diphenylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-diphenylcarbazole

9-[5-(2,7-diphenylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-diphenylcarbazole (PubChem CID 146393821) has the molecular formula C61H40F3N3 and a molecular weight of 872.01 g/mol. Its IUPAC name is 9-[5-(2,7-diphenylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-diphenylcarbazole.

Molecular Properties

Compound Name9-[5-(2,7-diphenylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-diphenylcarbazole
PubChem CID146393821
Molecular FormulaC61H40F3N3
Molecular Weight872.01 g/mol
Exact Mass871.32
IUPAC Name9-[5-(2,7-diphenylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-diphenylcarbazole
SMILESCc1cc(-c2cc(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)ncc2-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)cc(C(F)(F)F)c1
InChIInChI=1S/C61H40F3N3/c1-39-30-48(32-49(31-39)61(62,63)64)54-37-60(67-57-35-46(42-18-10-4-11-19-42)24-28-52(57)53-29-25-47(36-58(53)67)43-20-12-5-13-21-43)65-38-59(54)66-55-33-44(40-14-6-2-7-15-40)22-26-50(55)51-27-23-45(34-56(51)66)41-16-8-3-9-17-41/h2-38H,1H3
InChIKeyUOZILQZBPAELCX-UHFFFAOYSA-N
XLogP16.94
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.01
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-[5-(2,7-diphenylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-diphenylcarbazole with MolForge

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Related Compounds

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CID 10253255
1-Methyl-3-{4-[2-(4-pyridin-2-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-1H-indole
CID 10692505
4-(4-Methylpyridin-3-yl)-1-[6-(trifluoromethyl)pyridin-2-yl]benzimidazole
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1-(4-Fluorophenyl)-2-methyl-8-naphthalen-2-ylimidazo[4,5-c]quinoline
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CID 168294917
1-Ethyl-7-[(4-fluoro-phenyl)-imidazol-1-yl-methyl]-1H-indole
CID 10064550
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CID 44422629
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CID 71568312
2-(Imidazol-1-ylmethyl)-6-methyl-1-(4-methylphenyl)indole
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1-(4-Fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methylindole
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6-[[5-[4-(Trifluoromethyl)phenyl]imidazo[4,5-b]pyrazin-3-yl]methyl]quinoline
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Frequently Asked Questions

What is the IUPAC name of 9-[5-(2,7-diphenylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-diphenylcarbazole?
The IUPAC name of 9-[5-(2,7-diphenylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-diphenylcarbazole (CID 146393821) is 9-[5-(2,7-diphenylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-diphenylcarbazole.
What is the SMILES notation for 9-[5-(2,7-diphenylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-diphenylcarbazole?
The canonical SMILES for 9-[5-(2,7-diphenylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-diphenylcarbazole is Cc1cc(-c2cc(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)ncc2-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)cc(C(F)(F)F)c1.
What is the InChIKey of 9-[5-(2,7-diphenylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-diphenylcarbazole?
The InChIKey is UOZILQZBPAELCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40F3N3/c1-39-30-48(32-49(31-39)61(62,63)64)54-37-60(67-57-35-46(42-18-10-4-11-19-42)24-28-52(57)53-29-25-47(36-58(53)67)43-20-12-5-13-21-43)65-38-59(54)66-55-33-44(40-14-6-2-7-15-40)22-26-50(55)51-27-23-45(34-56(51)66)41-16-8-3-9-17-41/h2-38H,1H3.
What are the key properties of 9-[5-(2,7-diphenylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-diphenylcarbazole?
9-[5-(2,7-diphenylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-diphenylcarbazole has a molecular weight of 872.01 g/mol, XLogP of 16.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(2,7-diphenylcarbazol-9-yl)-4-[3-methyl-5-(trifluoromethyl)phenyl]-2-pyridinyl]-2,7-diphenylcarbazole is sourced from PubChem (CID 146393821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).