2-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]anilino)phenyl]phenyl]-2-N,7-N,9,9-tetraphenylfluorene-2,7-diamine

C139H96F2N4O2 — CID 172547070

About 2-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]anilino)phenyl]phenyl]-2-N,7-N,9,9-tetraphenylfluorene-2,7-diamine

2-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]anilino)phenyl]phenyl]-2-N,7-N,9,9-tetraphenylfluorene-2,7-diamine (PubChem CID 172547070) has the molecular formula C139H96F2N4O2 and a molecular weight of 1892.32 g/mol. Its IUPAC name is 2-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]anilino)phenyl]phenyl]-2-N,7-N,9,9-tetraphenylfluorene-2,7-diamine.

Molecular Properties

• Compound Name: 2-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]anilino)phenyl]phenyl]-2-N,7-N,9,9-tetraphenylfluorene-2,7-diamine
• PubChem CID: 172547070
• Molecular Formula: C139H96F2N4O2
• Molecular Weight: 1892.32 g/mol
• Exact Mass: 1890.75
• IUPAC Name: 2-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]anilino)phenyl]phenyl]-2-N,7-N,9,9-tetraphenylfluorene-2,7-diamine
• SMILES: C=Cc1ccc(Oc2ccc(C3(c4cccc(F)c4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7cc(N(c9ccccc9)c9ccc(-c%10ccc(N(c%11ccccc%11)c%11ccc%12c(c%11)C(c%11ccc(Oc%13ccc(C=C)cc%13)cc%11)(c%11cccc(F)c%11)c%11ccccc%11-%12)cc%10)cc9)ccc7-8)cc6)cc5)cc43)cc2)cc1
• InChI: InChI=1S/C139H96F2N4O2/c1-3-95-49-77-121(78-50-95)146-123-81-61-103(62-82-123)138(105-33-27-35-107(140)89-105)131-47-25-23-45-125(131)127-85-73-119(93-135(127)138)144(111-41-19-9-20-42-111)115-69-57-99(58-70-115)97-53-65-113(66-54-97)142(109-37-15-7-16-38-109)117-75-87-129-130-88-76-118(92-134(130)137(133(129)91-117,101-29-11-5-12-30-101)102-31-13-6-14-32-102)143(110-39-17-8-18-40-110)114-67-55-98(56-68-114)100-59-71-116(72-60-100)145(112-43-21-10-22-44-112)120-74-86-128-126-46-24-26-48-132(126)139(136(128)94-120,106-34-28-36-108(141)90-106)104-63-83-124(84-64-104)147-122-79-51-96(4-2)52-80-122/h3-94H,1-2H2
• InChIKey: UNVXHHTXHKNUOS-UHFFFAOYSA-N
• XLogP: 37.14
• TPSA: 31.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 26
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1892.32
LogP ≤ 5	37.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]anilino)phenyl]phenyl]-2-N,7-N,9,9-tetraphenylfluorene-2,7-diamine?

The IUPAC name of 2-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]anilino)phenyl]phenyl]-2-N,7-N,9,9-tetraphenylfluorene-2,7-diamine (CID 172547070) is 2-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]anilino)phenyl]phenyl]-2-N,7-N,9,9-tetraphenylfluorene-2,7-diamine.

What is the SMILES notation for 2-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]anilino)phenyl]phenyl]-2-N,7-N,9,9-tetraphenylfluorene-2,7-diamine?

The canonical SMILES for 2-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]anilino)phenyl]phenyl]-2-N,7-N,9,9-tetraphenylfluorene-2,7-diamine is C=Cc1ccc(Oc2ccc(C3(c4cccc(F)c4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccc8c(c7)C(c7ccccc7)(c7ccccc7)c7cc(N(c9ccccc9)c9ccc(-c%10ccc(N(c%11ccccc%11)c%11ccc%12c(c%11)C(c%11ccc(Oc%13ccc(C=C)cc%13)cc%11)(c%11cccc(F)c%11)c%11ccccc%11-%12)cc%10)cc9)ccc7-8)cc6)cc5)cc43)cc2)cc1.

What is the InChIKey of 2-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]anilino)phenyl]phenyl]-2-N,7-N,9,9-tetraphenylfluorene-2,7-diamine?

The InChIKey is UNVXHHTXHKNUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C139H96F2N4O2/c1-3-95-49-77-121(78-50-95)146-123-81-61-103(62-82-123)138(105-33-27-35-107(140)89-105)131-47-25-23-45-125(131)127-85-73-119(93-135(127)138)144(111-41-19-9-20-42-111)115-69-57-99(58-70-115)97-53-65-113(66-54-97)142(109-37-15-7-16-38-109)117-75-87-129-130-88-76-118(92-134(130)137(133(129)91-117,101-29-11-5-12-30-101)102-31-13-6-14-32-102)143(110-39-17-8-18-40-110)114-67-55-98(56-68-114)100-59-71-116(72-60-100)145(112-43-21-10-22-44-112)120-74-86-128-126-46-24-26-48-132(126)139(136(128)94-120,106-34-28-36-108(141)90-106)104-63-83-124(84-64-104)147-122-79-51-96(4-2)52-80-122/h3-94H,1-2H2.

What are the key properties of 2-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]anilino)phenyl]phenyl]-2-N,7-N,9,9-tetraphenylfluorene-2,7-diamine?

2-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]anilino)phenyl]phenyl]-2-N,7-N,9,9-tetraphenylfluorene-2,7-diamine has a molecular weight of 1892.32 g/mol, XLogP of 37.14, 26 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]anilino)phenyl]phenyl]-2-N,7-N,9,9-tetraphenylfluorene-2,7-diamine is sourced from PubChem (CID 172547070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).