6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole

C70H78N4O — CID 158818639

About 6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole

6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (PubChem CID 158818639) has the molecular formula C70H78N4O and a molecular weight of 991.42 g/mol. Its IUPAC name is 6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
• PubChem CID: 158818639
• Molecular Formula: C70H78N4O
• Molecular Weight: 991.42 g/mol
• Exact Mass: 990.62
• IUPAC Name: 6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
• SMILES: CC(C)(C)c1cccc(N2CN(c3cc(Oc4ccc5c6cc(C(C)(C)C)ccc6n(-c6cc(C(C)(C)c7ccccc7)ccn6)c5c4)cc(C(C)(C)c4ccccc4)c3)c3cc(C(C)(C)C)c(C(C)(C)C)cc32)c1
• InChI: InChI=1S/C70H78N4O/c1-65(2,3)48-28-23-29-52(36-48)72-45-73(63-44-59(68(10,11)12)58(43-62(63)72)67(7,8)9)53-37-51(70(15,16)47-26-21-18-22-27-47)38-55(41-53)75-54-31-32-56-57-39-49(66(4,5)6)30-33-60(57)74(61(56)42-54)64-40-50(34-35-71-64)69(13,14)46-24-19-17-20-25-46/h17-44H,45H2,1-16H3
• InChIKey: KYEBRMRWBFZAOD-UHFFFAOYSA-N
• XLogP: 19.06
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	991.42
LogP ≤ 5	19.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole?

The IUPAC name of 6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (CID 158818639) is 6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.

What is the SMILES notation for 6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole?

The canonical SMILES for 6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is CC(C)(C)c1cccc(N2CN(c3cc(Oc4ccc5c6cc(C(C)(C)C)ccc6n(-c6cc(C(C)(C)c7ccccc7)ccn6)c5c4)cc(C(C)(C)c4ccccc4)c3)c3cc(C(C)(C)C)c(C(C)(C)C)cc32)c1.

What is the InChIKey of 6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole?

The InChIKey is KYEBRMRWBFZAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H78N4O/c1-65(2,3)48-28-23-29-52(36-48)72-45-73(63-44-59(68(10,11)12)58(43-62(63)72)67(7,8)9)53-37-51(70(15,16)47-26-21-18-22-27-47)38-55(41-53)75-54-31-32-56-57-39-49(66(4,5)6)30-33-60(57)74(61(56)42-54)64-40-50(34-35-71-64)69(13,14)46-24-19-17-20-25-46/h17-44H,45H2,1-16H3.

What are the key properties of 6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole?

6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole has a molecular weight of 991.42 g/mol, XLogP of 19.06, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-2-[3-[5,6-ditert-butyl-3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is sourced from PubChem (CID 158818639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).