2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole

C79H80N4O — CID 158430502

About 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole

2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (PubChem CID 158430502) has the molecular formula C79H80N4O and a molecular weight of 1101.54 g/mol. Its IUPAC name is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
• PubChem CID: 158430502
• Molecular Formula: C79H80N4O
• Molecular Weight: 1101.54 g/mol
• Exact Mass: 1100.63
• IUPAC Name: 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
• SMILES: CC(C)c1cccc(C(C)C)c1-c1ccc2c(c1)N(c1cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)c6ccccc6)ccn5)c4c3)cc(C(C)(C)C)c1)CN2c1cc(C(C)(C)c2ccccc2)cc(C(C)(C)c2ccccc2)c1
• InChI: InChI=1S/C79H80N4O/c1-52(2)66-33-25-34-67(53(3)4)75(66)54-36-39-71-73(42-54)82(51-81(71)62-45-60(78(10,11)56-28-19-15-20-29-56)43-61(46-62)79(12,13)57-30-21-16-22-31-57)63-44-59(76(5,6)7)47-65(49-63)84-64-37-38-69-68-32-23-24-35-70(68)83(72(69)50-64)74-48-58(40-41-80-74)77(8,9)55-26-17-14-18-27-55/h14-50,52-53H,51H2,1-13H3
• InChIKey: IOZKUWPRLPUVCE-UHFFFAOYSA-N
• XLogP: 21.41
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1101.54
LogP ≤ 5	21.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole?

The IUPAC name of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (CID 158430502) is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.

What is the SMILES notation for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole?

The canonical SMILES for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is CC(C)c1cccc(C(C)C)c1-c1ccc2c(c1)N(c1cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)c6ccccc6)ccn5)c4c3)cc(C(C)(C)C)c1)CN2c1cc(C(C)(C)c2ccccc2)cc(C(C)(C)c2ccccc2)c1.

What is the InChIKey of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole?

The InChIKey is IOZKUWPRLPUVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H80N4O/c1-52(2)66-33-25-34-67(53(3)4)75(66)54-36-39-71-73(42-54)82(51-81(71)62-45-60(78(10,11)56-28-19-15-20-29-56)43-61(46-62)79(12,13)57-30-21-16-22-31-57)63-44-59(76(5,6)7)47-65(49-63)84-64-37-38-69-68-32-23-24-35-70(68)83(72(69)50-64)74-48-58(40-41-80-74)77(8,9)55-26-17-14-18-27-55/h14-50,52-53H,51H2,1-13H3.

What are the key properties of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole?

2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole has a molecular weight of 1101.54 g/mol, XLogP of 21.41, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-6-[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-tert-butylphenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is sourced from PubChem (CID 158430502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).