2-(2,6-diphenylpyrimidin-4-yl)-7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole

C71H46N6 — CID 134598132

About 2-(2,6-diphenylpyrimidin-4-yl)-7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole

2-(2,6-diphenylpyrimidin-4-yl)-7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole (PubChem CID 134598132) has the molecular formula C71H46N6 and a molecular weight of 983.19 g/mol. Its IUPAC name is 2-(2,6-diphenylpyrimidin-4-yl)-7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole.

Molecular Properties

• Compound Name: 2-(2,6-diphenylpyrimidin-4-yl)-7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole
• PubChem CID: 134598132
• Molecular Formula: C71H46N6
• Molecular Weight: 983.19 g/mol
• Exact Mass: 982.38
• IUPAC Name: 2-(2,6-diphenylpyrimidin-4-yl)-7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole
• SMILES: Cc1cc2c(c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3n2-c2ccccc2)c2c1c1cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)ccc1n2-c1ccccc1
• InChI: InChI=1S/C71H46N6/c1-45-41-65-68(56-42-48(35-38-62(56)74(65)49-25-11-4-12-26-49)59-44-58(46-21-7-2-8-22-46)72-71(73-59)47-23-9-3-10-24-47)70-66(45)57-43-52(36-39-63(57)77(70)51-29-15-6-16-30-51)75-61-34-20-18-32-55(61)67-64(75)40-37-54-53-31-17-19-33-60(53)76(69(54)67)50-27-13-5-14-28-50/h2-44H,1H3
• InChIKey: VMEDOEIGTQJHPK-UHFFFAOYSA-N
• XLogP: 18.17
• TPSA: 45.50 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	983.19
LogP ≤ 5	18.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diphenylpyrimidin-4-yl)-7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole?

The IUPAC name of 2-(2,6-diphenylpyrimidin-4-yl)-7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole (CID 134598132) is 2-(2,6-diphenylpyrimidin-4-yl)-7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole.

What is the SMILES notation for 2-(2,6-diphenylpyrimidin-4-yl)-7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole?

The canonical SMILES for 2-(2,6-diphenylpyrimidin-4-yl)-7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole is Cc1cc2c(c3cc(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3n2-c2ccccc2)c2c1c1cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)ccc1n2-c1ccccc1.

What is the InChIKey of 2-(2,6-diphenylpyrimidin-4-yl)-7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole?

The InChIKey is VMEDOEIGTQJHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H46N6/c1-45-41-65-68(56-42-48(35-38-62(56)74(65)49-25-11-4-12-26-49)59-44-58(46-21-7-2-8-22-46)72-71(73-59)47-23-9-3-10-24-47)70-66(45)57-43-52(36-39-63(57)77(70)51-29-15-6-16-30-51)75-61-34-20-18-32-55(61)67-64(75)40-37-54-53-31-17-19-33-60(53)76(69(54)67)50-27-13-5-14-28-50/h2-44H,1H3.

What are the key properties of 2-(2,6-diphenylpyrimidin-4-yl)-7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole?

2-(2,6-diphenylpyrimidin-4-yl)-7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole has a molecular weight of 983.19 g/mol, XLogP of 18.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-diphenylpyrimidin-4-yl)-7-methyl-5,12-diphenyl-9-(12-phenylindolo[3,2-c]carbazol-5-yl)indolo[3,2-a]carbazole is sourced from PubChem (CID 134598132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).