2-N,7-N-bis(3,5-diphenylphenyl)-9,9-dimethyl-2-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine

C91H66N2 — CID 23561347

About 2-N,7-N-bis(3,5-diphenylphenyl)-9,9-dimethyl-2-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine

2-N,7-N-bis(3,5-diphenylphenyl)-9,9-dimethyl-2-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine (PubChem CID 23561347) has the molecular formula C91H66N2 and a molecular weight of 1187.54 g/mol. Its IUPAC name is 2-N,7-N-bis(3,5-diphenylphenyl)-9,9-dimethyl-2-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine.

Molecular Properties

• Compound Name: 2-N,7-N-bis(3,5-diphenylphenyl)-9,9-dimethyl-2-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
• PubChem CID: 23561347
• Molecular Formula: C91H66N2
• Molecular Weight: 1187.54 g/mol
• Exact Mass: 1186.52
• IUPAC Name: 2-N,7-N-bis(3,5-diphenylphenyl)-9,9-dimethyl-2-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine
• SMILES: CC1(C)c2cc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc21
• InChI: InChI=1S/C91H66N2/c1-91(2)89-61-83(92(81-46-42-72(43-47-81)70-34-32-69(33-35-70)63-20-8-3-9-21-63)85-57-77(64-22-10-4-11-23-64)55-78(58-85)65-24-12-5-13-25-65)50-52-87(89)88-53-51-84(62-90(88)91)93(86-59-79(66-26-14-6-15-27-66)56-80(60-86)67-28-16-7-17-29-67)82-48-44-73(45-49-82)71-36-38-74(39-37-71)76-41-40-68-30-18-19-31-75(68)54-76/h3-62H,1-2H3
• InChIKey: JEOOMBSRAYZCBX-UHFFFAOYSA-N
• XLogP: 25.42
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1187.54
LogP ≤ 5	25.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(3,5-diphenylphenyl)-9,9-dimethyl-2-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine?

The IUPAC name of 2-N,7-N-bis(3,5-diphenylphenyl)-9,9-dimethyl-2-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine (CID 23561347) is 2-N,7-N-bis(3,5-diphenylphenyl)-9,9-dimethyl-2-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine.

What is the SMILES notation for 2-N,7-N-bis(3,5-diphenylphenyl)-9,9-dimethyl-2-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine?

The canonical SMILES for 2-N,7-N-bis(3,5-diphenylphenyl)-9,9-dimethyl-2-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine is CC1(C)c2cc(N(c3ccc(-c4ccc(-c5ccccc5)cc4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)ccc2-c2ccc(N(c3ccc(-c4ccc(-c5ccc6ccccc6c5)cc4)cc3)c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc21.

What is the InChIKey of 2-N,7-N-bis(3,5-diphenylphenyl)-9,9-dimethyl-2-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine?

The InChIKey is JEOOMBSRAYZCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H66N2/c1-91(2)89-61-83(92(81-46-42-72(43-47-81)70-34-32-69(33-35-70)63-20-8-3-9-21-63)85-57-77(64-22-10-4-11-23-64)55-78(58-85)65-24-12-5-13-25-65)50-52-87(89)88-53-51-84(62-90(88)91)93(86-59-79(66-26-14-6-15-27-66)56-80(60-86)67-28-16-7-17-29-67)82-48-44-73(45-49-82)71-36-38-74(39-37-71)76-41-40-68-30-18-19-31-75(68)54-76/h3-62H,1-2H3.

What are the key properties of 2-N,7-N-bis(3,5-diphenylphenyl)-9,9-dimethyl-2-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine?

2-N,7-N-bis(3,5-diphenylphenyl)-9,9-dimethyl-2-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine has a molecular weight of 1187.54 g/mol, XLogP of 25.42, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,7-N-bis(3,5-diphenylphenyl)-9,9-dimethyl-2-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-7-N-[4-(4-phenylphenyl)phenyl]fluorene-2,7-diamine is sourced from PubChem (CID 23561347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).