2-[2-(9H-carbazol-1-yl)-1-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-6-(2,4,6-trimethylphenyl)benzimidazol-4-yl]-9-(4-pyridin-4-yl-2-pyridinyl)carbazole

C68H56N6 — CID 176643474

About 2-[2-(9H-carbazol-1-yl)-1-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-6-(2,4,6-trimethylphenyl)benzimidazol-4-yl]-9-(4-pyridin-4-yl-2-pyridinyl)carbazole

2-[2-(9H-carbazol-1-yl)-1-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-6-(2,4,6-trimethylphenyl)benzimidazol-4-yl]-9-(4-pyridin-4-yl-2-pyridinyl)carbazole (PubChem CID 176643474) has the molecular formula C68H56N6 and a molecular weight of 957.24 g/mol. Its IUPAC name is 2-[2-(9H-carbazol-1-yl)-1-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-6-(2,4,6-trimethylphenyl)benzimidazol-4-yl]-9-(4-pyridin-4-yl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 2-[2-(9H-carbazol-1-yl)-1-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-6-(2,4,6-trimethylphenyl)benzimidazol-4-yl]-9-(4-pyridin-4-yl-2-pyridinyl)carbazole
• PubChem CID: 176643474
• Molecular Formula: C68H56N6
• Molecular Weight: 957.24 g/mol
• Exact Mass: 956.46
• IUPAC Name: 2-[2-(9H-carbazol-1-yl)-1-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-6-(2,4,6-trimethylphenyl)benzimidazol-4-yl]-9-(4-pyridin-4-yl-2-pyridinyl)carbazole
• SMILES: Cc1cc(C)c(-c2cc(-c3ccc4c5ccccc5n(-c5cc(-c6ccncc6)ccn5)c4c3)c3nc(-c4cccc5c4[nH]c4ccccc45)n(-c4ccc(-c5c(C(C)C)cccc5C(C)C)cc4)c3c2)c(C)c1
• InChI: InChI=1S/C68H56N6/c1-40(2)51-16-12-17-52(41(3)4)65(51)46-22-25-50(26-23-46)73-62-38-49(64-43(6)34-42(5)35-44(64)7)36-58(67(62)72-68(73)57-19-13-18-56-53-14-8-10-20-59(53)71-66(56)57)48-24-27-55-54-15-9-11-21-60(54)74(61(55)37-48)63-39-47(30-33-70-63)45-28-31-69-32-29-45/h8-41,71H,1-7H3
• InChIKey: MJJUAECUMUBRFK-UHFFFAOYSA-N
• XLogP: 18.05
• TPSA: 64.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	957.24
LogP ≤ 5	18.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9H-carbazol-1-yl)-1-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-6-(2,4,6-trimethylphenyl)benzimidazol-4-yl]-9-(4-pyridin-4-yl-2-pyridinyl)carbazole?

The IUPAC name of 2-[2-(9H-carbazol-1-yl)-1-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-6-(2,4,6-trimethylphenyl)benzimidazol-4-yl]-9-(4-pyridin-4-yl-2-pyridinyl)carbazole (CID 176643474) is 2-[2-(9H-carbazol-1-yl)-1-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-6-(2,4,6-trimethylphenyl)benzimidazol-4-yl]-9-(4-pyridin-4-yl-2-pyridinyl)carbazole.

What is the SMILES notation for 2-[2-(9H-carbazol-1-yl)-1-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-6-(2,4,6-trimethylphenyl)benzimidazol-4-yl]-9-(4-pyridin-4-yl-2-pyridinyl)carbazole?

The canonical SMILES for 2-[2-(9H-carbazol-1-yl)-1-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-6-(2,4,6-trimethylphenyl)benzimidazol-4-yl]-9-(4-pyridin-4-yl-2-pyridinyl)carbazole is Cc1cc(C)c(-c2cc(-c3ccc4c5ccccc5n(-c5cc(-c6ccncc6)ccn5)c4c3)c3nc(-c4cccc5c4[nH]c4ccccc45)n(-c4ccc(-c5c(C(C)C)cccc5C(C)C)cc4)c3c2)c(C)c1.

What is the InChIKey of 2-[2-(9H-carbazol-1-yl)-1-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-6-(2,4,6-trimethylphenyl)benzimidazol-4-yl]-9-(4-pyridin-4-yl-2-pyridinyl)carbazole?

The InChIKey is MJJUAECUMUBRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H56N6/c1-40(2)51-16-12-17-52(41(3)4)65(51)46-22-25-50(26-23-46)73-62-38-49(64-43(6)34-42(5)35-44(64)7)36-58(67(62)72-68(73)57-19-13-18-56-53-14-8-10-20-59(53)71-66(56)57)48-24-27-55-54-15-9-11-21-60(54)74(61(55)37-48)63-39-47(30-33-70-63)45-28-31-69-32-29-45/h8-41,71H,1-7H3.

What are the key properties of 2-[2-(9H-carbazol-1-yl)-1-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-6-(2,4,6-trimethylphenyl)benzimidazol-4-yl]-9-(4-pyridin-4-yl-2-pyridinyl)carbazole?

2-[2-(9H-carbazol-1-yl)-1-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-6-(2,4,6-trimethylphenyl)benzimidazol-4-yl]-9-(4-pyridin-4-yl-2-pyridinyl)carbazole has a molecular weight of 957.24 g/mol, XLogP of 18.05, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(9H-carbazol-1-yl)-1-[4-[2,6-di(propan-2-yl)phenyl]phenyl]-6-(2,4,6-trimethylphenyl)benzimidazol-4-yl]-9-(4-pyridin-4-yl-2-pyridinyl)carbazole is sourced from PubChem (CID 176643474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).