7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-phenyl-9-pyridin-2-yl-2-(trifluoromethyl)carbazole

C49H30F3N5 — CID 176642485

IUPAC7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-phenyl-9-pyridin-2-yl-2-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1cc2c(cc1-c1ccccc1)c1ccc(-c3cccc4c3nc(-c3cccc5c3[nH]c3ccccc35)n4-c3ccccc3)cc1n2-c1ccccn1
InChIInChI=1S/C49H30F3N5/c50-49(51,52)40-29-44-39(28-38(40)30-13-3-1-4-14-30)35-25-24-31(27-43(35)57(44)45-23-9-10-26-53-45)33-18-12-22-42-47(33)55-48(56(42)32-15-5-2-6-16-32)37-20-11-19-36-34-17-7-8-21-41(34)54-46(36)37/h1-29,54H
InChIKeyYDLJYVXXKZQOHY-UHFFFAOYSA-N
MW745.81 g/mol
LogP13.17
Rot. Bonds5

About 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-phenyl-9-pyridin-2-yl-2-(trifluoromethyl)carbazole

7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-phenyl-9-pyridin-2-yl-2-(trifluoromethyl)carbazole (PubChem CID 176642485) has the molecular formula C49H30F3N5 and a molecular weight of 745.81 g/mol. Its IUPAC name is 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-phenyl-9-pyridin-2-yl-2-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-phenyl-9-pyridin-2-yl-2-(trifluoromethyl)carbazole
PubChem CID176642485
Molecular FormulaC49H30F3N5
Molecular Weight745.81 g/mol
Exact Mass745.25
IUPAC Name7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-phenyl-9-pyridin-2-yl-2-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1cc2c(cc1-c1ccccc1)c1ccc(-c3cccc4c3nc(-c3cccc5c3[nH]c3ccccc35)n4-c3ccccc3)cc1n2-c1ccccn1
InChIInChI=1S/C49H30F3N5/c50-49(51,52)40-29-44-39(28-38(40)30-13-3-1-4-14-30)35-25-24-31(27-43(35)57(44)45-23-9-10-26-53-45)33-18-12-22-42-47(33)55-48(56(42)32-15-5-2-6-16-32)37-20-11-19-36-34-17-7-8-21-41(34)54-46(36)37/h1-29,54H
InChIKeyYDLJYVXXKZQOHY-UHFFFAOYSA-N
XLogP13.17
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.81
LogP ≤ 513.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-phenyl-9-pyridin-2-yl-2-(trifluoromethyl)carbazole?
The IUPAC name of 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-phenyl-9-pyridin-2-yl-2-(trifluoromethyl)carbazole (CID 176642485) is 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-phenyl-9-pyridin-2-yl-2-(trifluoromethyl)carbazole.
What is the SMILES notation for 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-phenyl-9-pyridin-2-yl-2-(trifluoromethyl)carbazole?
The canonical SMILES for 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-phenyl-9-pyridin-2-yl-2-(trifluoromethyl)carbazole is FC(F)(F)c1cc2c(cc1-c1ccccc1)c1ccc(-c3cccc4c3nc(-c3cccc5c3[nH]c3ccccc35)n4-c3ccccc3)cc1n2-c1ccccn1.
What is the InChIKey of 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-phenyl-9-pyridin-2-yl-2-(trifluoromethyl)carbazole?
The InChIKey is YDLJYVXXKZQOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30F3N5/c50-49(51,52)40-29-44-39(28-38(40)30-13-3-1-4-14-30)35-25-24-31(27-43(35)57(44)45-23-9-10-26-53-45)33-18-12-22-42-47(33)55-48(56(42)32-15-5-2-6-16-32)37-20-11-19-36-34-17-7-8-21-41(34)54-46(36)37/h1-29,54H.
What are the key properties of 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-phenyl-9-pyridin-2-yl-2-(trifluoromethyl)carbazole?
7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-phenyl-9-pyridin-2-yl-2-(trifluoromethyl)carbazole has a molecular weight of 745.81 g/mol, XLogP of 13.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-3-phenyl-9-pyridin-2-yl-2-(trifluoromethyl)carbazole is sourced from PubChem (CID 176642485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).