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

C97H72N2 — CID 139340690

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

2-N,7-N-bis[9,9-bis(4-ethenylphenyl)fluoren-4-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine (PubChem CID 139340690) has the molecular formula C97H72N2 and a molecular weight of 1265.66 g/mol. Its IUPAC name is 2-N,7-N-bis[9,9-bis(4-ethenylphenyl)fluoren-4-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine.

Molecular Properties

• Compound Name: 2-N,7-N-bis[9,9-bis(4-ethenylphenyl)fluoren-4-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine
• PubChem CID: 139340690
• Molecular Formula: C97H72N2
• Molecular Weight: 1265.66 g/mol
• Exact Mass: 1264.57
• IUPAC Name: 2-N,7-N-bis[9,9-bis(4-ethenylphenyl)fluoren-4-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine
• SMILES: C=Cc1ccc(C2(c3ccc(C=C)cc3)c3ccccc3-c3c(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4cc(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6-c6ccccc6C7(c6ccc(C=C)cc6)c6ccc(C=C)cc6)ccc4-5)cccc32)cc1
• InChI: InChI=1S/C97H72N2/c1-7-65-35-47-73(48-36-65)96(74-49-37-66(8-2)38-50-74)85-29-19-17-27-83(85)93-87(96)31-21-33-91(93)98(77-55-43-71(44-56-77)69-23-13-11-14-24-69)79-59-61-81-82-62-60-80(64-90(82)95(5,6)89(81)63-79)99(78-57-45-72(46-58-78)70-25-15-12-16-26-70)92-34-22-32-88-94(92)84-28-18-20-30-86(84)97(88,75-51-39-67(9-3)40-52-75)76-53-41-68(10-4)42-54-76/h7-64H,1-4H2,5-6H3
• InChIKey: XBLKSFLJOSDNJJ-UHFFFAOYSA-N
• XLogP: 25.56
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 16
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1265.66
LogP ≤ 5	25.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 2-N,7-N-bis[9,9-bis(4-ethenylphenyl)fluoren-4-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine (CID 139340690) is 2-N,7-N-bis[9,9-bis(4-ethenylphenyl)fluoren-4-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[9,9-bis(4-ethenylphenyl)fluoren-4-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine?

The canonical SMILES for 2-N,7-N-bis[9,9-bis(4-ethenylphenyl)fluoren-4-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine is C=Cc1ccc(C2(c3ccc(C=C)cc3)c3ccccc3-c3c(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4cc(N(c6ccc(-c7ccccc7)cc6)c6cccc7c6-c6ccccc6C7(c6ccc(C=C)cc6)c6ccc(C=C)cc6)ccc4-5)cccc32)cc1.

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

The InChIKey is XBLKSFLJOSDNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C97H72N2/c1-7-65-35-47-73(48-36-65)96(74-49-37-66(8-2)38-50-74)85-29-19-17-27-83(85)93-87(96)31-21-33-91(93)98(77-55-43-71(44-56-77)69-23-13-11-14-24-69)79-59-61-81-82-62-60-80(64-90(82)95(5,6)89(81)63-79)99(78-57-45-72(46-58-78)70-25-15-12-16-26-70)92-34-22-32-88-94(92)84-28-18-20-30-86(84)97(88,75-51-39-67(9-3)40-52-75)76-53-41-68(10-4)42-54-76/h7-64H,1-4H2,5-6H3.

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

2-N,7-N-bis[9,9-bis(4-ethenylphenyl)fluoren-4-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine has a molecular weight of 1265.66 g/mol, XLogP of 25.56, 16 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[9,9-bis(4-ethenylphenyl)fluoren-4-yl]-9,9-dimethyl-2-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine is sourced from PubChem (CID 139340690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).