2-[1-phenyl-2-[6-(trifluoromethyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole

C48H29F3N6 — CID 176642826

IUPAC2-[1-phenyl-2-[6-(trifluoromethyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole
SMILESFC(F)(F)c1ccc2[nH]c3c(-c4nc5c(-c6ccc7c8cc(-c9ccncc9)ccc8n(-c8ccccn8)c7c6)cccc5n4-c4ccccc4)cccc3c2c1
InChIInChI=1S/C48H29F3N6/c49-48(50,51)32-17-19-40-38(28-32)36-11-6-12-37(45(36)54-40)47-55-46-34(10-7-13-42(46)56(47)33-8-2-1-3-9-33)31-15-18-35-39-26-30(29-21-24-52-25-22-29)16-20-41(39)57(43(35)27-31)44-14-4-5-23-53-44/h1-28,54H
InChIKeySJYGEBJPQIVXND-UHFFFAOYSA-N
MW746.80 g/mol
LogP12.57
Rot. Bonds5

About 2-[1-phenyl-2-[6-(trifluoromethyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole

2-[1-phenyl-2-[6-(trifluoromethyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole (PubChem CID 176642826) has the molecular formula C48H29F3N6 and a molecular weight of 746.80 g/mol. Its IUPAC name is 2-[1-phenyl-2-[6-(trifluoromethyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole.

Molecular Properties

Compound Name2-[1-phenyl-2-[6-(trifluoromethyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole
PubChem CID176642826
Molecular FormulaC48H29F3N6
Molecular Weight746.80 g/mol
Exact Mass746.24
IUPAC Name2-[1-phenyl-2-[6-(trifluoromethyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole
SMILESFC(F)(F)c1ccc2[nH]c3c(-c4nc5c(-c6ccc7c8cc(-c9ccncc9)ccc8n(-c8ccccn8)c7c6)cccc5n4-c4ccccc4)cccc3c2c1
InChIInChI=1S/C48H29F3N6/c49-48(50,51)32-17-19-40-38(28-32)36-11-6-12-37(45(36)54-40)47-55-46-34(10-7-13-42(46)56(47)33-8-2-1-3-9-33)31-15-18-35-39-26-30(29-21-24-52-25-22-29)16-20-41(39)57(43(35)27-31)44-14-4-5-23-53-44/h1-28,54H
InChIKeySJYGEBJPQIVXND-UHFFFAOYSA-N
XLogP12.57
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.80
LogP ≤ 512.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[1-phenyl-2-[6-(trifluoromethyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole?
The IUPAC name of 2-[1-phenyl-2-[6-(trifluoromethyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole (CID 176642826) is 2-[1-phenyl-2-[6-(trifluoromethyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole.
What is the SMILES notation for 2-[1-phenyl-2-[6-(trifluoromethyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole?
The canonical SMILES for 2-[1-phenyl-2-[6-(trifluoromethyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole is FC(F)(F)c1ccc2[nH]c3c(-c4nc5c(-c6ccc7c8cc(-c9ccncc9)ccc8n(-c8ccccn8)c7c6)cccc5n4-c4ccccc4)cccc3c2c1.
What is the InChIKey of 2-[1-phenyl-2-[6-(trifluoromethyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole?
The InChIKey is SJYGEBJPQIVXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29F3N6/c49-48(50,51)32-17-19-40-38(28-32)36-11-6-12-37(45(36)54-40)47-55-46-34(10-7-13-42(46)56(47)33-8-2-1-3-9-33)31-15-18-35-39-26-30(29-21-24-52-25-22-29)16-20-41(39)57(43(35)27-31)44-14-4-5-23-53-44/h1-28,54H.
What are the key properties of 2-[1-phenyl-2-[6-(trifluoromethyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole?
2-[1-phenyl-2-[6-(trifluoromethyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole has a molecular weight of 746.80 g/mol, XLogP of 12.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-phenyl-2-[6-(trifluoromethyl)-9H-carbazol-1-yl]benzimidazol-4-yl]-9-pyridin-2-yl-6-pyridin-4-ylcarbazole is sourced from PubChem (CID 176642826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).