3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine

C150H102F2N4O3 — CID 172546982

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

3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine (PubChem CID 172546982) has the molecular formula C150H102F2N4O3 and a molecular weight of 2046.49 g/mol. Its IUPAC name is 3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine.

Molecular Properties

• Compound Name: 3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine
• PubChem CID: 172546982
• Molecular Formula: C150H102F2N4O3
• Molecular Weight: 2046.49 g/mol
• Exact Mass: 2044.79
• IUPAC Name: 3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine
• SMILES: C=Cc1ccc(Oc2ccc(C3(c4cccc(F)c4)c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc8c(c7)oc7cc(N(c9ccc(-c%10ccccc%10)cc9)c9ccc(-c%10ccc(N(c%11ccc(-c%12ccccc%12)cc%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)ccc78)cc6)cc5)cc43)cc2)cc1
• InChI: InChI=1S/C150H102F2N4O3/c1-3-101-39-83-133(84-40-101)157-135-87-59-115(60-88-135)149(117-31-21-33-119(151)95-117)143-37-19-17-35-137(143)139-91-79-129(97-145(139)149)153(121-63-43-107(44-64-121)103-23-9-5-10-24-103)123-71-51-111(52-72-123)113-55-75-127(76-56-113)155(125-67-47-109(48-68-125)105-27-13-7-14-28-105)131-81-93-141-142-94-82-132(100-148(142)159-147(141)99-131)156(126-69-49-110(50-70-126)106-29-15-8-16-30-106)128-77-57-114(58-78-128)112-53-73-124(74-54-112)154(122-65-45-108(46-66-122)104-25-11-6-12-26-104)130-80-92-140-138-36-18-20-38-144(138)150(146(140)98-130,118-32-22-34-120(152)96-118)116-61-89-136(90-62-116)158-134-85-41-102(4-2)42-86-134/h3-100H,1-2H2
• InChIKey: NSBKJLOIDTXMBQ-UHFFFAOYSA-N
• XLogP: 41.34
• TPSA: 44.56 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 28
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2046.49
LogP ≤ 5	41.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine (CID 172546982) is 3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine.

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

The canonical SMILES for 3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine is C=Cc1ccc(Oc2ccc(C3(c4cccc(F)c4)c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc(N(c7ccc(-c8ccccc8)cc7)c7ccc8c(c7)oc7cc(N(c9ccc(-c%10ccccc%10)cc9)c9ccc(-c%10ccc(N(c%11ccc(-c%12ccccc%12)cc%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)ccc78)cc6)cc5)cc43)cc2)cc1.

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

The InChIKey is NSBKJLOIDTXMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C150H102F2N4O3/c1-3-101-39-83-133(84-40-101)157-135-87-59-115(60-88-135)149(117-31-21-33-119(151)95-117)143-37-19-17-35-137(143)139-91-79-129(97-145(139)149)153(121-63-43-107(44-64-121)103-23-9-5-10-24-103)123-71-51-111(52-72-123)113-55-75-127(76-56-113)155(125-67-47-109(48-68-125)105-27-13-7-14-28-105)131-81-93-141-142-94-82-132(100-148(142)159-147(141)99-131)156(126-69-49-110(50-70-126)106-29-15-8-16-30-106)128-77-57-114(58-78-128)112-53-73-124(74-54-112)154(122-65-45-108(46-66-122)104-25-11-6-12-26-104)130-80-92-140-138-36-18-20-38-144(138)150(146(140)98-130,118-32-22-34-120(152)96-118)116-61-89-136(90-62-116)158-134-85-41-102(4-2)42-86-134/h3-100H,1-2H2.

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

3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine has a molecular weight of 2046.49 g/mol, XLogP of 41.34, 28 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N,7-N-bis[4-[4-(N-[9-[4-(4-ethenylphenoxy)phenyl]-9-(3-fluorophenyl)fluoren-2-yl]-4-phenylanilino)phenyl]phenyl]-3-N,7-N-bis(4-phenylphenyl)dibenzofuran-3,7-diamine is sourced from PubChem (CID 172546982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).