1-phenyl-2-[4-(6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluoren-2-yl)phenyl]-5-(trifluoromethyl)benzimidazole

C50H37F3N2 — CID 59844148

IUPAC1-phenyl-2-[4-(6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluoren-2-yl)phenyl]-5-(trifluoromethyl)benzimidazole
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(-c4nc5cc(C(F)(F)F)ccc5n4-c4ccccc4)cc2)cc1C3(C)C
InChIInChI=1S/C50H37F3N2/c1-48(2)41-25-33(30-11-7-5-8-12-30)19-22-37(41)39-28-44-40(29-43(39)48)38-23-20-34(26-42(38)49(44,3)4)31-15-17-32(18-16-31)47-54-45-27-35(50(51,52)53)21-24-46(45)55(47)36-13-9-6-10-14-36/h5-29H,1-4H3
InChIKeyBHXVUFSHUNQRRN-UHFFFAOYSA-N
MW722.85 g/mol
LogP13.66
Rot. Bonds4

About 1-phenyl-2-[4-(6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluoren-2-yl)phenyl]-5-(trifluoromethyl)benzimidazole

1-phenyl-2-[4-(6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluoren-2-yl)phenyl]-5-(trifluoromethyl)benzimidazole (PubChem CID 59844148) has the molecular formula C50H37F3N2 and a molecular weight of 722.85 g/mol. Its IUPAC name is 1-phenyl-2-[4-(6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluoren-2-yl)phenyl]-5-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-phenyl-2-[4-(6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluoren-2-yl)phenyl]-5-(trifluoromethyl)benzimidazole
PubChem CID59844148
Molecular FormulaC50H37F3N2
Molecular Weight722.85 g/mol
Exact Mass722.29
IUPAC Name1-phenyl-2-[4-(6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluoren-2-yl)phenyl]-5-(trifluoromethyl)benzimidazole
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(-c4nc5cc(C(F)(F)F)ccc5n4-c4ccccc4)cc2)cc1C3(C)C
InChIInChI=1S/C50H37F3N2/c1-48(2)41-25-33(30-11-7-5-8-12-30)19-22-37(41)39-28-44-40(29-43(39)48)38-23-20-34(26-42(38)49(44,3)4)31-15-17-32(18-16-31)47-54-45-27-35(50(51,52)53)21-24-46(45)55(47)36-13-9-6-10-14-36/h5-29H,1-4H3
InChIKeyBHXVUFSHUNQRRN-UHFFFAOYSA-N
XLogP13.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.85
LogP ≤ 513.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[4-(6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluoren-2-yl)phenyl]-5-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-phenyl-2-[4-(6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluoren-2-yl)phenyl]-5-(trifluoromethyl)benzimidazole (CID 59844148) is 1-phenyl-2-[4-(6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluoren-2-yl)phenyl]-5-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-phenyl-2-[4-(6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluoren-2-yl)phenyl]-5-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-phenyl-2-[4-(6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluoren-2-yl)phenyl]-5-(trifluoromethyl)benzimidazole is CC1(C)c2cc(-c3ccccc3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(-c4nc5cc(C(F)(F)F)ccc5n4-c4ccccc4)cc2)cc1C3(C)C.
What is the InChIKey of 1-phenyl-2-[4-(6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluoren-2-yl)phenyl]-5-(trifluoromethyl)benzimidazole?
The InChIKey is BHXVUFSHUNQRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H37F3N2/c1-48(2)41-25-33(30-11-7-5-8-12-30)19-22-37(41)39-28-44-40(29-43(39)48)38-23-20-34(26-42(38)49(44,3)4)31-15-17-32(18-16-31)47-54-45-27-35(50(51,52)53)21-24-46(45)55(47)36-13-9-6-10-14-36/h5-29H,1-4H3.
What are the key properties of 1-phenyl-2-[4-(6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluoren-2-yl)phenyl]-5-(trifluoromethyl)benzimidazole?
1-phenyl-2-[4-(6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluoren-2-yl)phenyl]-5-(trifluoromethyl)benzimidazole has a molecular weight of 722.85 g/mol, XLogP of 13.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[4-(6,6,12,12-tetramethyl-8-phenylindeno[1,2-b]fluoren-2-yl)phenyl]-5-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 59844148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).