2-[[6-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-1,1,3,3-tetramethyl-2H-inden-4-yl]oxy]-9-[4-(9-phenylfluoren-9-yl)-2-pyridinyl]carbazole

C78H66N4O — CID 172545773

About 2-[[6-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-1,1,3,3-tetramethyl-2H-inden-4-yl]oxy]-9-[4-(9-phenylfluoren-9-yl)-2-pyridinyl]carbazole

2-[[6-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-1,1,3,3-tetramethyl-2H-inden-4-yl]oxy]-9-[4-(9-phenylfluoren-9-yl)-2-pyridinyl]carbazole (PubChem CID 172545773) has the molecular formula C78H66N4O and a molecular weight of 1075.41 g/mol. Its IUPAC name is 2-[[6-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-1,1,3,3-tetramethyl-2H-inden-4-yl]oxy]-9-[4-(9-phenylfluoren-9-yl)-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 2-[[6-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-1,1,3,3-tetramethyl-2H-inden-4-yl]oxy]-9-[4-(9-phenylfluoren-9-yl)-2-pyridinyl]carbazole
• PubChem CID: 172545773
• Molecular Formula: C78H66N4O
• Molecular Weight: 1075.41 g/mol
• Exact Mass: 1074.52
• IUPAC Name: 2-[[6-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-1,1,3,3-tetramethyl-2H-inden-4-yl]oxy]-9-[4-(9-phenylfluoren-9-yl)-2-pyridinyl]carbazole
• SMILES: CC(C)(C)c1cc(-c2ccccc2)c(N2CN(c3cc(Oc4ccc5c6ccccc6n(-c6cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccn6)c5c4)c4c(c3)C(C)(C)CC4(C)C)c3ccccc32)c(-c2ccccc2)c1
• InChI: InChI=1S/C78H66N4O/c1-75(2,3)55-43-62(51-25-11-8-12-26-51)74(63(44-55)52-27-13-9-14-28-52)81-50-80(68-37-23-24-38-69(68)81)56-46-66-73(77(6,7)49-76(66,4)5)71(47-56)83-57-39-40-61-60-33-19-22-36-67(60)82(70(61)48-57)72-45-54(41-42-79-72)78(53-29-15-10-16-30-53)64-34-20-17-31-58(64)59-32-18-21-35-65(59)78/h8-48H,49-50H2,1-7H3
• InChIKey: ZWXNWFGWHGGSPG-UHFFFAOYSA-N
• XLogP: 20.17
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1075.41
LogP ≤ 5	20.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-1,1,3,3-tetramethyl-2H-inden-4-yl]oxy]-9-[4-(9-phenylfluoren-9-yl)-2-pyridinyl]carbazole?

The IUPAC name of 2-[[6-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-1,1,3,3-tetramethyl-2H-inden-4-yl]oxy]-9-[4-(9-phenylfluoren-9-yl)-2-pyridinyl]carbazole (CID 172545773) is 2-[[6-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-1,1,3,3-tetramethyl-2H-inden-4-yl]oxy]-9-[4-(9-phenylfluoren-9-yl)-2-pyridinyl]carbazole.

What is the SMILES notation for 2-[[6-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-1,1,3,3-tetramethyl-2H-inden-4-yl]oxy]-9-[4-(9-phenylfluoren-9-yl)-2-pyridinyl]carbazole?

The canonical SMILES for 2-[[6-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-1,1,3,3-tetramethyl-2H-inden-4-yl]oxy]-9-[4-(9-phenylfluoren-9-yl)-2-pyridinyl]carbazole is CC(C)(C)c1cc(-c2ccccc2)c(N2CN(c3cc(Oc4ccc5c6ccccc6n(-c6cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccn6)c5c4)c4c(c3)C(C)(C)CC4(C)C)c3ccccc32)c(-c2ccccc2)c1.

What is the InChIKey of 2-[[6-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-1,1,3,3-tetramethyl-2H-inden-4-yl]oxy]-9-[4-(9-phenylfluoren-9-yl)-2-pyridinyl]carbazole?

The InChIKey is ZWXNWFGWHGGSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H66N4O/c1-75(2,3)55-43-62(51-25-11-8-12-26-51)74(63(44-55)52-27-13-9-14-28-52)81-50-80(68-37-23-24-38-69(68)81)56-46-66-73(77(6,7)49-76(66,4)5)71(47-56)83-57-39-40-61-60-33-19-22-36-67(60)82(70(61)48-57)72-45-54(41-42-79-72)78(53-29-15-10-16-30-53)64-34-20-17-31-58(64)59-32-18-21-35-65(59)78/h8-48H,49-50H2,1-7H3.

What are the key properties of 2-[[6-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-1,1,3,3-tetramethyl-2H-inden-4-yl]oxy]-9-[4-(9-phenylfluoren-9-yl)-2-pyridinyl]carbazole?

2-[[6-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-1,1,3,3-tetramethyl-2H-inden-4-yl]oxy]-9-[4-(9-phenylfluoren-9-yl)-2-pyridinyl]carbazole has a molecular weight of 1075.41 g/mol, XLogP of 20.17, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-1-yl]-1,1,3,3-tetramethyl-2H-inden-4-yl]oxy]-9-[4-(9-phenylfluoren-9-yl)-2-pyridinyl]carbazole is sourced from PubChem (CID 172545773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).