6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-[12-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[2,3-a]carbazol-2-yl]-1,3-benzoxazole

C74H45N7O — CID 130369639

About 6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-[12-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[2,3-a]carbazol-2-yl]-1,3-benzoxazole

6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-[12-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[2,3-a]carbazol-2-yl]-1,3-benzoxazole (PubChem CID 130369639) has the molecular formula C74H45N7O and a molecular weight of 1048.22 g/mol. Its IUPAC name is 6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-[12-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[2,3-a]carbazol-2-yl]-1,3-benzoxazole.

Molecular Properties

• Compound Name: 6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-[12-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[2,3-a]carbazol-2-yl]-1,3-benzoxazole
• PubChem CID: 130369639
• Molecular Formula: C74H45N7O
• Molecular Weight: 1048.22 g/mol
• Exact Mass: 1047.37
• IUPAC Name: 6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-[12-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[2,3-a]carbazol-2-yl]-1,3-benzoxazole
• SMILES: c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c3nc(-c4ccc5c6ccc7c8ccccc8n(-c8cccc9c8ncn9-c8ccccc8)c7c6n(-c6ccccc6)c5c4)oc3c2)cc1
• InChI: InChI=1S/C74H45N7O/c1-5-20-46(21-6-1)48-43-66(81-62-33-18-15-30-54(62)58-39-38-56-52-28-13-16-31-60(52)78(70(56)73(58)81)50-24-9-3-10-25-50)69-67(44-48)82-74(76-69)47-36-37-55-59-41-40-57-53-29-14-17-32-61(53)80(72(57)71(59)79(65(55)42-47)51-26-11-4-12-27-51)64-35-19-34-63-68(64)75-45-77(63)49-22-7-2-8-23-49/h1-45H
• InChIKey: AMRGOVVVSZESGY-UHFFFAOYSA-N
• XLogP: 18.89
• TPSA: 63.57 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1048.22
LogP ≤ 5	18.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-[12-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[2,3-a]carbazol-2-yl]-1,3-benzoxazole?

The IUPAC name of 6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-[12-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[2,3-a]carbazol-2-yl]-1,3-benzoxazole (CID 130369639) is 6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-[12-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[2,3-a]carbazol-2-yl]-1,3-benzoxazole.

What is the SMILES notation for 6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-[12-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[2,3-a]carbazol-2-yl]-1,3-benzoxazole?

The canonical SMILES for 6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-[12-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[2,3-a]carbazol-2-yl]-1,3-benzoxazole is c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c3nc(-c4ccc5c6ccc7c8ccccc8n(-c8cccc9c8ncn9-c8ccccc8)c7c6n(-c6ccccc6)c5c4)oc3c2)cc1.

What is the InChIKey of 6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-[12-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[2,3-a]carbazol-2-yl]-1,3-benzoxazole?

The InChIKey is AMRGOVVVSZESGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H45N7O/c1-5-20-46(21-6-1)48-43-66(81-62-33-18-15-30-54(62)58-39-38-56-52-28-13-16-31-60(52)78(70(56)73(58)81)50-24-9-3-10-25-50)69-67(44-48)82-74(76-69)47-36-37-55-59-41-40-57-53-29-14-17-32-61(53)80(72(57)71(59)79(65(55)42-47)51-26-11-4-12-27-51)64-35-19-34-63-68(64)75-45-77(63)49-22-7-2-8-23-49/h1-45H.

What are the key properties of 6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-[12-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[2,3-a]carbazol-2-yl]-1,3-benzoxazole?

6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-[12-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[2,3-a]carbazol-2-yl]-1,3-benzoxazole has a molecular weight of 1048.22 g/mol, XLogP of 18.89, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-phenyl-4-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-[12-phenyl-11-(1-phenylbenzimidazol-4-yl)indolo[2,3-a]carbazol-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 130369639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).