11-naphthalen-1-yl-12-[3-(11-naphthalen-1-ylindolo[2,3-a]carbazol-12-yl)-5-phenylphenyl]indolo[2,3-a]carbazole

C68H42N4 — CID 59365908

About 11-naphthalen-1-yl-12-[3-(11-naphthalen-1-ylindolo[2,3-a]carbazol-12-yl)-5-phenylphenyl]indolo[2,3-a]carbazole

11-naphthalen-1-yl-12-[3-(11-naphthalen-1-ylindolo[2,3-a]carbazol-12-yl)-5-phenylphenyl]indolo[2,3-a]carbazole (PubChem CID 59365908) has the molecular formula C68H42N4 and a molecular weight of 915.11 g/mol. Its IUPAC name is 11-naphthalen-1-yl-12-[3-(11-naphthalen-1-ylindolo[2,3-a]carbazol-12-yl)-5-phenylphenyl]indolo[2,3-a]carbazole.

Molecular Properties

• Compound Name: 11-naphthalen-1-yl-12-[3-(11-naphthalen-1-ylindolo[2,3-a]carbazol-12-yl)-5-phenylphenyl]indolo[2,3-a]carbazole
• PubChem CID: 59365908
• Molecular Formula: C68H42N4
• Molecular Weight: 915.11 g/mol
• Exact Mass: 914.34
• IUPAC Name: 11-naphthalen-1-yl-12-[3-(11-naphthalen-1-ylindolo[2,3-a]carbazol-12-yl)-5-phenylphenyl]indolo[2,3-a]carbazole
• SMILES: c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc7ccccc67)c5c43)cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc7ccccc67)c5c43)c2)cc1
• InChI: InChI=1S/C68H42N4/c1-2-18-43(19-3-1)46-40-47(69-61-30-12-8-26-51(61)55-36-38-57-53-28-10-14-32-63(53)71(67(57)65(55)69)59-34-16-22-44-20-4-6-24-49(44)59)42-48(41-46)70-62-31-13-9-27-52(62)56-37-39-58-54-29-11-15-33-64(54)72(68(58)66(56)70)60-35-17-23-45-21-5-7-25-50(45)60/h1-42H
• InChIKey: SVNRJRSVOYDFGH-UHFFFAOYSA-N
• XLogP: 18.05
• TPSA: 19.72 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	915.11
LogP ≤ 5	18.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 11-naphthalen-1-yl-12-[3-(11-naphthalen-1-ylindolo[2,3-a]carbazol-12-yl)-5-phenylphenyl]indolo[2,3-a]carbazole?

The IUPAC name of 11-naphthalen-1-yl-12-[3-(11-naphthalen-1-ylindolo[2,3-a]carbazol-12-yl)-5-phenylphenyl]indolo[2,3-a]carbazole (CID 59365908) is 11-naphthalen-1-yl-12-[3-(11-naphthalen-1-ylindolo[2,3-a]carbazol-12-yl)-5-phenylphenyl]indolo[2,3-a]carbazole.

What is the SMILES notation for 11-naphthalen-1-yl-12-[3-(11-naphthalen-1-ylindolo[2,3-a]carbazol-12-yl)-5-phenylphenyl]indolo[2,3-a]carbazole?

The canonical SMILES for 11-naphthalen-1-yl-12-[3-(11-naphthalen-1-ylindolo[2,3-a]carbazol-12-yl)-5-phenylphenyl]indolo[2,3-a]carbazole is c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc7ccccc67)c5c43)cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6cccc7ccccc67)c5c43)c2)cc1.

What is the InChIKey of 11-naphthalen-1-yl-12-[3-(11-naphthalen-1-ylindolo[2,3-a]carbazol-12-yl)-5-phenylphenyl]indolo[2,3-a]carbazole?

The InChIKey is SVNRJRSVOYDFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42N4/c1-2-18-43(19-3-1)46-40-47(69-61-30-12-8-26-51(61)55-36-38-57-53-28-10-14-32-63(53)71(67(57)65(55)69)59-34-16-22-44-20-4-6-24-49(44)59)42-48(41-46)70-62-31-13-9-27-52(62)56-37-39-58-54-29-11-15-33-64(54)72(68(58)66(56)70)60-35-17-23-45-21-5-7-25-50(45)60/h1-42H.

What are the key properties of 11-naphthalen-1-yl-12-[3-(11-naphthalen-1-ylindolo[2,3-a]carbazol-12-yl)-5-phenylphenyl]indolo[2,3-a]carbazole?

11-naphthalen-1-yl-12-[3-(11-naphthalen-1-ylindolo[2,3-a]carbazol-12-yl)-5-phenylphenyl]indolo[2,3-a]carbazole has a molecular weight of 915.11 g/mol, XLogP of 18.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 11-naphthalen-1-yl-12-[3-(11-naphthalen-1-ylindolo[2,3-a]carbazol-12-yl)-5-phenylphenyl]indolo[2,3-a]carbazole is sourced from PubChem (CID 59365908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).