2-N,7-N-dinaphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N-phenylphenanthrene-2,7-diamine

C92H62N4 — CID 58807472

About 2-N,7-N-dinaphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N-phenylphenanthrene-2,7-diamine

2-N,7-N-dinaphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N-phenylphenanthrene-2,7-diamine (PubChem CID 58807472) has the molecular formula C92H62N4 and a molecular weight of 1223.54 g/mol. Its IUPAC name is 2-N,7-N-dinaphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N-phenylphenanthrene-2,7-diamine.

Molecular Properties

• Compound Name: 2-N,7-N-dinaphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N-phenylphenanthrene-2,7-diamine
• PubChem CID: 58807472
• Molecular Formula: C92H62N4
• Molecular Weight: 1223.54 g/mol
• Exact Mass: 1222.50
• IUPAC Name: 2-N,7-N-dinaphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N-phenylphenanthrene-2,7-diamine
• SMILES: c1ccc(N(c2ccc3c(ccc4cc(N(c5ccc(-c6ccc(N(c7ccc8c(ccc9cc(N(c%10ccccc%10)c%10cccc%11ccccc%10%11)ccc98)c7)c7cccc8ccccc78)cc6)cc5)c5cccc6ccccc56)ccc43)c2)c2cccc3ccccc23)cc1
• InChI: InChI=1S/C92H62N4/c1-3-27-73(28-4-1)93(89-35-15-23-65-19-7-11-31-85(65)89)77-51-55-81-69(59-77)39-41-71-61-79(53-57-83(71)81)95(91-37-17-25-67-21-9-13-33-87(67)91)75-47-43-63(44-48-75)64-45-49-76(50-46-64)96(92-38-18-26-68-22-10-14-34-88(68)92)80-54-58-84-72(62-80)42-40-70-60-78(52-56-82(70)84)94(74-29-5-2-6-30-74)90-36-16-24-66-20-8-12-32-86(66)90/h1-62H
• InChIKey: MIMXKBBYYBOYII-UHFFFAOYSA-N
• XLogP: 26.46
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 13
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1223.54
LogP ≤ 5	26.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-dinaphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N-phenylphenanthrene-2,7-diamine?

The IUPAC name of 2-N,7-N-dinaphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N-phenylphenanthrene-2,7-diamine (CID 58807472) is 2-N,7-N-dinaphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N-phenylphenanthrene-2,7-diamine.

What is the SMILES notation for 2-N,7-N-dinaphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N-phenylphenanthrene-2,7-diamine?

The canonical SMILES for 2-N,7-N-dinaphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N-phenylphenanthrene-2,7-diamine is c1ccc(N(c2ccc3c(ccc4cc(N(c5ccc(-c6ccc(N(c7ccc8c(ccc9cc(N(c%10ccccc%10)c%10cccc%11ccccc%10%11)ccc98)c7)c7cccc8ccccc78)cc6)cc5)c5cccc6ccccc56)ccc43)c2)c2cccc3ccccc23)cc1.

What is the InChIKey of 2-N,7-N-dinaphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N-phenylphenanthrene-2,7-diamine?

The InChIKey is MIMXKBBYYBOYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H62N4/c1-3-27-73(28-4-1)93(89-35-15-23-65-19-7-11-31-85(65)89)77-51-55-81-69(59-77)39-41-71-61-79(53-57-83(71)81)95(91-37-17-25-67-21-9-13-33-87(67)91)75-47-43-63(44-48-75)64-45-49-76(50-46-64)96(92-38-18-26-68-22-10-14-34-88(68)92)80-54-58-84-72(62-80)42-40-70-60-78(52-56-82(70)84)94(74-29-5-2-6-30-74)90-36-16-24-66-20-8-12-32-86(66)90/h1-62H.

What are the key properties of 2-N,7-N-dinaphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N-phenylphenanthrene-2,7-diamine?

2-N,7-N-dinaphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N-phenylphenanthrene-2,7-diamine has a molecular weight of 1223.54 g/mol, XLogP of 26.46, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,7-N-dinaphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N-phenylphenanthrene-2,7-diamine is sourced from PubChem (CID 58807472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).