N-[3-[5-(2,5-diphenylpyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine

C63H44N4 — CID 122461294

About N-[3-[5-(2,5-diphenylpyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine

N-[3-[5-(2,5-diphenylpyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine (PubChem CID 122461294) has the molecular formula C63H44N4 and a molecular weight of 857.07 g/mol. Its IUPAC name is N-[3-[5-(2,5-diphenylpyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine.

Molecular Properties

• Compound Name: N-[3-[5-(2,5-diphenylpyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
• PubChem CID: 122461294
• Molecular Formula: C63H44N4
• Molecular Weight: 857.07 g/mol
• Exact Mass: 856.36
• IUPAC Name: N-[3-[5-(2,5-diphenylpyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
• SMILES: CC1(C)c2ccccc2-c2cc3c4cc(-c5cccc(N(c6cccc7ccccc67)c6cccc7ccccc67)c5)ccc4n(-c4nc(-c5ccccc5)ncc4-c4ccccc4)c3cc21
• InChI: InChI=1S/C63H44N4/c1-63(2)55-31-14-13-30-50(55)51-38-53-52-37-46(34-35-59(52)67(60(53)39-56(51)63)62-54(43-18-5-3-6-19-43)40-64-61(65-62)44-22-7-4-8-23-44)45-26-15-27-47(36-45)66(57-32-16-24-41-20-9-11-28-48(41)57)58-33-17-25-42-21-10-12-29-49(42)58/h3-40H,1-2H3
• InChIKey: UGXAXNWTMGPNOI-UHFFFAOYSA-N
• XLogP: 16.66
• TPSA: 33.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	857.07
LogP ≤ 5	16.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2,5-diphenylpyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?

The IUPAC name of N-[3-[5-(2,5-diphenylpyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine (CID 122461294) is N-[3-[5-(2,5-diphenylpyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine.

What is the SMILES notation for N-[3-[5-(2,5-diphenylpyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?

The canonical SMILES for N-[3-[5-(2,5-diphenylpyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine is CC1(C)c2ccccc2-c2cc3c4cc(-c5cccc(N(c6cccc7ccccc67)c6cccc7ccccc67)c5)ccc4n(-c4nc(-c5ccccc5)ncc4-c4ccccc4)c3cc21.

What is the InChIKey of N-[3-[5-(2,5-diphenylpyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?

The InChIKey is UGXAXNWTMGPNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N4/c1-63(2)55-31-14-13-30-50(55)51-38-53-52-37-46(34-35-59(52)67(60(53)39-56(51)63)62-54(43-18-5-3-6-19-43)40-64-61(65-62)44-22-7-4-8-23-44)45-26-15-27-47(36-45)66(57-32-16-24-41-20-9-11-28-48(41)57)58-33-17-25-42-21-10-12-29-49(42)58/h3-40H,1-2H3.

What are the key properties of N-[3-[5-(2,5-diphenylpyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?

N-[3-[5-(2,5-diphenylpyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine has a molecular weight of 857.07 g/mol, XLogP of 16.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(2,5-diphenylpyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine is sourced from PubChem (CID 122461294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).