7-phenyl-5-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole

C63H39N7 — CID 164990213

About 7-phenyl-5-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole

7-phenyl-5-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole (PubChem CID 164990213) has the molecular formula C63H39N7 and a molecular weight of 894.05 g/mol. Its IUPAC name is 7-phenyl-5-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole.

Molecular Properties

• Compound Name: 7-phenyl-5-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
• PubChem CID: 164990213
• Molecular Formula: C63H39N7
• Molecular Weight: 894.05 g/mol
• Exact Mass: 893.33
• IUPAC Name: 7-phenyl-5-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole
• SMILES: c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)n3)cc2)cc1
• InChI: InChI=1S/C63H39N7/c1-4-18-40(19-5-1)41-32-34-42(35-33-41)61-64-62(69-55-31-17-13-27-49(55)59-56(69)37-36-48-45-24-10-15-29-53(45)68(60(48)59)44-22-8-3-9-23-44)66-63(65-61)70-54-30-16-12-26-47(54)51-38-50-46-25-11-14-28-52(46)67(57(50)39-58(51)70)43-20-6-2-7-21-43/h1-39H
• InChIKey: GTAJMAYGAYKESW-UHFFFAOYSA-N
• XLogP: 15.59
• TPSA: 58.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	894.05
LogP ≤ 5	15.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-5-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole?

The IUPAC name of 7-phenyl-5-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole (CID 164990213) is 7-phenyl-5-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole.

What is the SMILES notation for 7-phenyl-5-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole?

The canonical SMILES for 7-phenyl-5-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6c7ccccc7n(-c7ccccc7)c6cc54)nc(-n4c5ccccc5c5c4ccc4c6ccccc6n(-c6ccccc6)c45)n3)cc2)cc1.

What is the InChIKey of 7-phenyl-5-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole?

The InChIKey is GTAJMAYGAYKESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H39N7/c1-4-18-40(19-5-1)41-32-34-42(35-33-41)61-64-62(69-55-31-17-13-27-49(55)59-56(69)37-36-48-45-24-10-15-29-53(45)68(60(48)59)44-22-8-3-9-23-44)66-63(65-61)70-54-30-16-12-26-47(54)51-38-50-46-25-11-14-28-52(46)67(57(50)39-58(51)70)43-20-6-2-7-21-43/h1-39H.

What are the key properties of 7-phenyl-5-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole?

7-phenyl-5-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole has a molecular weight of 894.05 g/mol, XLogP of 15.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-phenyl-5-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-b]carbazole is sourced from PubChem (CID 164990213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).