2-N'-(4-dibenzofuran-2-ylphenyl)-2-N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine

C127H82F2N2O4 — CID 170413917

About 2-N'-(4-dibenzofuran-2-ylphenyl)-2-N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine

2-N'-(4-dibenzofuran-2-ylphenyl)-2-N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine (PubChem CID 170413917) has the molecular formula C127H82F2N2O4 and a molecular weight of 1738.06 g/mol. Its IUPAC name is 2-N'-(4-dibenzofuran-2-ylphenyl)-2-N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine.

Molecular Properties

• Compound Name: 2-N'-(4-dibenzofuran-2-ylphenyl)-2-N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
• PubChem CID: 170413917
• Molecular Formula: C127H82F2N2O4
• Molecular Weight: 1738.06 g/mol
• Exact Mass: 1736.62
• IUPAC Name: 2-N'-(4-dibenzofuran-2-ylphenyl)-2-N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine
• SMILES: C=Cc1ccc(Oc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(N(c5ccc(-c6ccc7oc8c(c7c6)CCC=C8)cc5)c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-c6ccc(N(c7ccc(-c8ccc9oc%10ccccc%10c9c8)cc7)c7ccc8c(c7)C(c7ccc(F)cc7)(c7ccc(Oc9ccc(C=C)cc9)cc7)c7ccccc7-8)cc65)cc43)cc2)cc1
• InChI: InChI=1S/C127H82F2N2O4/c1-3-79-29-59-97(60-30-79)132-99-63-43-87(44-64-99)125(85-39-47-89(128)48-40-85)113-23-11-5-17-101(113)105-67-55-93(75-117(105)125)130(91-51-33-81(34-52-91)83-37-71-123-111(73-83)109-21-9-15-27-121(109)134-123)95-57-69-107-103-19-7-13-25-115(103)127(119(107)77-95)116-26-14-8-20-104(116)108-70-58-96(78-120(108)127)131(92-53-35-82(36-54-92)84-38-72-124-112(74-84)110-22-10-16-28-122(110)135-124)94-56-68-106-102-18-6-12-24-114(102)126(118(106)76-94,86-41-49-90(129)50-42-86)88-45-65-100(66-46-88)133-98-61-31-80(4-2)32-62-98/h3-9,11-21,23-78H,1-2,10,22H2
• InChIKey: SGGNSKMDOXXBFH-UHFFFAOYSA-N
• XLogP: 33.78
• TPSA: 51.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 18
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1738.06
LogP ≤ 5	33.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-N'-(4-dibenzofuran-2-ylphenyl)-2-N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine?

The IUPAC name of 2-N'-(4-dibenzofuran-2-ylphenyl)-2-N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine (CID 170413917) is 2-N'-(4-dibenzofuran-2-ylphenyl)-2-N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine.

What is the SMILES notation for 2-N'-(4-dibenzofuran-2-ylphenyl)-2-N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine?

The canonical SMILES for 2-N'-(4-dibenzofuran-2-ylphenyl)-2-N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine is C=Cc1ccc(Oc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(N(c5ccc(-c6ccc7oc8c(c7c6)CCC=C8)cc5)c5ccc6c(c5)C5(c7ccccc7-6)c6ccccc6-c6ccc(N(c7ccc(-c8ccc9oc%10ccccc%10c9c8)cc7)c7ccc8c(c7)C(c7ccc(F)cc7)(c7ccc(Oc9ccc(C=C)cc9)cc7)c7ccccc7-8)cc65)cc43)cc2)cc1.

What is the InChIKey of 2-N'-(4-dibenzofuran-2-ylphenyl)-2-N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine?

The InChIKey is SGGNSKMDOXXBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C127H82F2N2O4/c1-3-79-29-59-97(60-30-79)132-99-63-43-87(44-64-99)125(85-39-47-89(128)48-40-85)113-23-11-5-17-101(113)105-67-55-93(75-117(105)125)130(91-51-33-81(34-52-91)83-37-71-123-111(73-83)109-21-9-15-27-121(109)134-123)95-57-69-107-103-19-7-13-25-115(103)127(119(107)77-95)116-26-14-8-20-104(116)108-70-58-96(78-120(108)127)131(92-53-35-82(36-54-92)84-38-72-124-112(74-84)110-22-10-16-28-122(110)135-124)94-56-68-106-102-18-6-12-24-114(102)126(118(106)76-94,86-41-49-90(129)50-42-86)88-45-65-100(66-46-88)133-98-61-31-80(4-2)32-62-98/h3-9,11-21,23-78H,1-2,10,22H2.

What are the key properties of 2-N'-(4-dibenzofuran-2-ylphenyl)-2-N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine?

2-N'-(4-dibenzofuran-2-ylphenyl)-2-N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine has a molecular weight of 1738.06 g/mol, XLogP of 33.78, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N'-(4-dibenzofuran-2-ylphenyl)-2-N-[4-(8,9-dihydrodibenzofuran-2-yl)phenyl]-2-N,2-N'-bis[9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2,2'-diamine is sourced from PubChem (CID 170413917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).