2-N,7-N-bis[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine

C97H76N2 — CID 146516509

About 2-N,7-N-bis[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine

2-N,7-N-bis[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine (PubChem CID 146516509) has the molecular formula C97H76N2 and a molecular weight of 1269.69 g/mol. Its IUPAC name is 2-N,7-N-bis[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine.

Molecular Properties

• Compound Name: 2-N,7-N-bis[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine
• PubChem CID: 146516509
• Molecular Formula: C97H76N2
• Molecular Weight: 1269.69 g/mol
• Exact Mass: 1268.60
• IUPAC Name: 2-N,7-N-bis[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine
• SMILES: C=Cc1ccc(C2(c3cc(C)ccc3C)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4cc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(c6ccc(C=C)cc6)(c6cc(C)ccc6C)c6ccccc6-7)ccc4-5)cc32)cc1
• InChI: InChI=1S/C97H76N2/c1-9-67-33-41-73(42-34-67)96(89-57-63(3)29-31-65(89)5)87-27-19-17-25-81(87)85-55-51-79(61-93(85)96)98(75-45-37-71(38-46-75)69-21-13-11-14-22-69)77-49-53-83-84-54-50-78(60-92(84)95(7,8)91(83)59-77)99(76-47-39-72(40-48-76)70-23-15-12-16-24-70)80-52-56-86-82-26-18-20-28-88(82)97(94(86)62-80,74-43-35-68(10-2)36-44-74)90-58-64(4)30-32-66(90)6/h9-62H,1-2H2,3-8H3
• InChIKey: JDBYONZZTYBSFN-UHFFFAOYSA-N
• XLogP: 25.51
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 14
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1269.69
LogP ≤ 5	25.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine?

The IUPAC name of 2-N,7-N-bis[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine (CID 146516509) is 2-N,7-N-bis[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine.

What is the SMILES notation for 2-N,7-N-bis[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine?

The canonical SMILES for 2-N,7-N-bis[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine is C=Cc1ccc(C2(c3cc(C)ccc3C)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4cc(N(c6ccc(-c7ccccc7)cc6)c6ccc7c(c6)C(c6ccc(C=C)cc6)(c6cc(C)ccc6C)c6ccccc6-7)ccc4-5)cc32)cc1.

What is the InChIKey of 2-N,7-N-bis[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine?

The InChIKey is JDBYONZZTYBSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H76N2/c1-9-67-33-41-73(42-34-67)96(89-57-63(3)29-31-65(89)5)87-27-19-17-25-81(87)85-55-51-79(61-93(85)96)98(75-45-37-71(38-46-75)69-21-13-11-14-22-69)77-49-53-83-84-54-50-78(60-92(84)95(7,8)91(83)59-77)99(76-47-39-72(40-48-76)70-23-15-12-16-24-70)80-52-56-86-82-26-18-20-28-88(82)97(94(86)62-80,74-43-35-68(10-2)36-44-74)90-58-64(4)30-32-66(90)6/h9-62H,1-2H2,3-8H3.

What are the key properties of 2-N,7-N-bis[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine?

2-N,7-N-bis[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine has a molecular weight of 1269.69 g/mol, XLogP of 25.51, 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[9-(2,5-dimethylphenyl)-9-(4-ethenylphenyl)fluoren-2-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine is sourced from PubChem (CID 146516509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).