5-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole

C76H48N6 — CID 155463026

About 5-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole

5-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 155463026) has the molecular formula C76H48N6 and a molecular weight of 1045.26 g/mol. Its IUPAC name is 5-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 5-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
• PubChem CID: 155463026
• Molecular Formula: C76H48N6
• Molecular Weight: 1045.26 g/mol
• Exact Mass: 1044.39
• IUPAC Name: 5-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c(-c4cccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c4)c3)n2)cc1
• InChI: InChI=1S/C76H48N6/c1-5-22-49(23-6-1)63-48-64(50-24-7-2-8-25-50)78-76(77-63)52-40-43-69(82-68-39-20-16-35-61(68)73-71(82)45-42-59-57-33-14-18-37-66(57)81(75(59)73)54-29-11-4-12-30-54)62(47-52)51-26-21-31-55(46-51)79-67-38-19-15-34-60(67)72-70(79)44-41-58-56-32-13-17-36-65(56)80(74(58)72)53-27-9-3-10-28-53/h1-48H
• InChIKey: GWEPICQAOXBQAO-UHFFFAOYSA-N
• XLogP: 19.53
• TPSA: 45.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1045.26
LogP ≤ 5	19.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?

The IUPAC name of 5-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole (CID 155463026) is 5-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole.

What is the SMILES notation for 5-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?

The canonical SMILES for 5-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)c(-c4cccc(-n5c6ccccc6c6c5ccc5c7ccccc7n(-c7ccccc7)c56)c4)c3)n2)cc1.

What is the InChIKey of 5-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?

The InChIKey is GWEPICQAOXBQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H48N6/c1-5-22-49(23-6-1)63-48-64(50-24-7-2-8-25-50)78-76(77-63)52-40-43-69(82-68-39-20-16-35-61(68)73-71(82)45-42-59-57-33-14-18-37-66(57)81(75(59)73)54-29-11-4-12-30-54)62(47-52)51-26-21-31-55(46-51)79-67-38-19-15-34-60(67)72-70(79)44-41-58-56-32-13-17-36-65(56)80(74(58)72)53-27-9-3-10-28-53/h1-48H.

What are the key properties of 5-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?

5-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 1045.26 g/mol, XLogP of 19.53, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[5-(4,6-diphenylpyrimidin-2-yl)-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 155463026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).