5-(9,9-dimethyl-8-phenylfluoren-1-yl)-2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole

C68H48N6 — CID 140948130

IUPAC5-(9,9-dimethyl-8-phenylfluoren-1-yl)-2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
SMILESCC1(C)c2c(-c3ccccc3)cccc2-c2cccc(-n3c4ccc(-c5ccc6c(c5)n5c7ccccc7nc5n6-c5cccc6c5C(C)(C)c5c(-c7ccccc7)cccc5-6)cc4n4c5ccccc5nc34)c21
InChIInChI=1S/C68H48N6/c1-67(2)61-45(41-19-7-5-8-20-41)23-15-25-47(61)49-27-17-33-57(63(49)67)73-55-37-35-43(39-59(55)71-53-31-13-11-29-51(53)69-65(71)73)44-36-38-56-60(40-44)72-54-32-14-12-30-52(54)70-66(72)74(56)58-34-18-28-50-48-26-16-24-46(42-21-9-6-10-22-42)62(48)68(3,4)64(50)58/h5-40H,1-4H3
InChIKeyNKACXAQCKCIAEG-UHFFFAOYSA-N
MW949.17 g/mol
LogP16.79
Rot. Bonds5

About 5-(9,9-dimethyl-8-phenylfluoren-1-yl)-2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole

5-(9,9-dimethyl-8-phenylfluoren-1-yl)-2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole (PubChem CID 140948130) has the molecular formula C68H48N6 and a molecular weight of 949.17 g/mol. Its IUPAC name is 5-(9,9-dimethyl-8-phenylfluoren-1-yl)-2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-(9,9-dimethyl-8-phenylfluoren-1-yl)-2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
PubChem CID140948130
Molecular FormulaC68H48N6
Molecular Weight949.17 g/mol
Exact Mass948.39
IUPAC Name5-(9,9-dimethyl-8-phenylfluoren-1-yl)-2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
SMILESCC1(C)c2c(-c3ccccc3)cccc2-c2cccc(-n3c4ccc(-c5ccc6c(c5)n5c7ccccc7nc5n6-c5cccc6c5C(C)(C)c5c(-c7ccccc7)cccc5-6)cc4n4c5ccccc5nc34)c21
InChIInChI=1S/C68H48N6/c1-67(2)61-45(41-19-7-5-8-20-41)23-15-25-47(61)49-27-17-33-57(63(49)67)73-55-37-35-43(39-59(55)71-53-31-13-11-29-51(53)69-65(71)73)44-36-38-56-60(40-44)72-54-32-14-12-30-52(54)70-66(72)74(56)58-34-18-28-50-48-26-16-24-46(42-21-9-6-10-22-42)62(48)68(3,4)64(50)58/h5-40H,1-4H3
InChIKeyNKACXAQCKCIAEG-UHFFFAOYSA-N
XLogP16.79
TPSA44.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500949.17
LogP ≤ 516.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethyl-8-phenylfluoren-1-yl)-2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-(9,9-dimethyl-8-phenylfluoren-1-yl)-2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole (CID 140948130) is 5-(9,9-dimethyl-8-phenylfluoren-1-yl)-2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-(9,9-dimethyl-8-phenylfluoren-1-yl)-2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-(9,9-dimethyl-8-phenylfluoren-1-yl)-2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole is CC1(C)c2c(-c3ccccc3)cccc2-c2cccc(-n3c4ccc(-c5ccc6c(c5)n5c7ccccc7nc5n6-c5cccc6c5C(C)(C)c5c(-c7ccccc7)cccc5-6)cc4n4c5ccccc5nc34)c21.
What is the InChIKey of 5-(9,9-dimethyl-8-phenylfluoren-1-yl)-2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
The InChIKey is NKACXAQCKCIAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48N6/c1-67(2)61-45(41-19-7-5-8-20-41)23-15-25-47(61)49-27-17-33-57(63(49)67)73-55-37-35-43(39-59(55)71-53-31-13-11-29-51(53)69-65(71)73)44-36-38-56-60(40-44)72-54-32-14-12-30-52(54)70-66(72)74(56)58-34-18-28-50-48-26-16-24-46(42-21-9-6-10-22-42)62(48)68(3,4)64(50)58/h5-40H,1-4H3.
What are the key properties of 5-(9,9-dimethyl-8-phenylfluoren-1-yl)-2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole?
5-(9,9-dimethyl-8-phenylfluoren-1-yl)-2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole has a molecular weight of 949.17 g/mol, XLogP of 16.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,9-dimethyl-8-phenylfluoren-1-yl)-2-[5-(9,9-dimethyl-8-phenylfluoren-1-yl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 140948130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).