N-(3,4-difluorophenyl)-N-[4-[4-(N-[9-[4-[2-[(Z)-5-[3-ethenyl-6-[4-[4-(2-fluoro-N-[9-(4-methoxyphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]-N-(2-fluorophenyl)anilino]-1-(4-methoxyphenyl)-1-(4-prop-2-enoxyphenyl)inden-2-yl]pent-4-enoxy]ethoxy]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine

C171H136F6N4O10 — CID 167019646

About N-(3,4-difluorophenyl)-N-[4-[4-(N-[9-[4-[2-[(Z)-5-[3-ethenyl-6-[4-[4-(2-fluoro-N-[9-(4-methoxyphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]-N-(2-fluorophenyl)anilino]-1-(4-methoxyphenyl)-1-(4-prop-2-enoxyphenyl)inden-2-yl]pent-4-enoxy]ethoxy]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine

N-(3,4-difluorophenyl)-N-[4-[4-(N-[9-[4-[2-[(Z)-5-[3-ethenyl-6-[4-[4-(2-fluoro-N-[9-(4-methoxyphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]-N-(2-fluorophenyl)anilino]-1-(4-methoxyphenyl)-1-(4-prop-2-enoxyphenyl)inden-2-yl]pent-4-enoxy]ethoxy]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine (PubChem CID 167019646) has the molecular formula C171H136F6N4O10 and a molecular weight of 2520.97 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N-[4-[4-(N-[9-[4-[2-[(Z)-5-[3-ethenyl-6-[4-[4-(2-fluoro-N-[9-(4-methoxyphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]-N-(2-fluorophenyl)anilino]-1-(4-methoxyphenyl)-1-(4-prop-2-enoxyphenyl)inden-2-yl]pent-4-enoxy]ethoxy]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: N-(3,4-difluorophenyl)-N-[4-[4-(N-[9-[4-[2-[(Z)-5-[3-ethenyl-6-[4-[4-(2-fluoro-N-[9-(4-methoxyphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]-N-(2-fluorophenyl)anilino]-1-(4-methoxyphenyl)-1-(4-prop-2-enoxyphenyl)inden-2-yl]pent-4-enoxy]ethoxy]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine
• PubChem CID: 167019646
• Molecular Formula: C171H136F6N4O10
• Molecular Weight: 2520.97 g/mol
• Exact Mass: 2519.02
• IUPAC Name: N-(3,4-difluorophenyl)-N-[4-[4-(N-[9-[4-[2-[(Z)-5-[3-ethenyl-6-[4-[4-(2-fluoro-N-[9-(4-methoxyphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]-N-(2-fluorophenyl)anilino]-1-(4-methoxyphenyl)-1-(4-prop-2-enoxyphenyl)inden-2-yl]pent-4-enoxy]ethoxy]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine
• SMILES: C=CCOc1ccc(C2(c3ccc(OC)cc3)C(/C=C\CCCOCCOc3ccc(C4(c5ccc(OCC=C)cc5)c5ccccc5-c5ccc(N(c6ccc(-c7ccc(N(c8ccc(F)c(F)c8)c8ccc9c(c8)C(c8ccc(OCC=C)cc8)(c8ccc(OCCOCC)cc8)c8ccccc8-9)cc7)cc6)c6ccc(F)c(F)c6)cc54)cc3)=C(C=C)c3ccc(N(c4ccc(-c5ccc(N(c6ccc7c(c6)C(c6ccc(OC)cc6)(c6ccc(OCC=C)cc6)c6ccccc6-7)c6ccccc6F)cc5)cc4)c4ccccc4F)cc32)cc1
• InChI: InChI=1S/C171H136F6N4O10/c1-9-99-186-138-81-51-120(52-82-138)168(118-47-77-136(182-7)78-48-118)152(144(13-5)148-93-73-132(110-156(148)168)180(166-37-25-23-35-162(166)174)128-67-43-116(44-68-128)117-45-69-129(70-46-117)181(167-38-26-24-36-163(167)175)133-74-96-151-147-30-19-20-32-153(147)169(159(151)111-133,119-49-79-137(183-8)80-50-119)121-53-83-139(84-54-121)187-100-10-2)31-16-15-27-103-185-105-107-191-143-91-61-125(62-92-143)171(123-57-87-141(88-58-123)189-102-12-4)155-34-22-18-29-146(155)150-95-72-131(109-158(150)171)179(135-76-98-161(173)165(177)113-135)127-65-41-115(42-66-127)114-39-63-126(64-40-114)178(134-75-97-160(172)164(176)112-134)130-71-94-149-145-28-17-21-33-154(145)170(157(149)108-130,122-55-85-140(86-56-122)188-101-11-3)124-59-89-142(90-60-124)190-106-104-184-14-6/h9-13,16-26,28-98,108-113H,1-5,14-15,27,99-107H2,6-8H3/b31-16-
• InChIKey: NRMNRHWTFXSPJH-ACXHZZMFSA-N
• XLogP: 42.24
• TPSA: 105.26 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 51
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2520.97
LogP ≤ 5	42.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N-[4-[4-(N-[9-[4-[2-[(Z)-5-[3-ethenyl-6-[4-[4-(2-fluoro-N-[9-(4-methoxyphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]-N-(2-fluorophenyl)anilino]-1-(4-methoxyphenyl)-1-(4-prop-2-enoxyphenyl)inden-2-yl]pent-4-enoxy]ethoxy]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine?

The IUPAC name of N-(3,4-difluorophenyl)-N-[4-[4-(N-[9-[4-[2-[(Z)-5-[3-ethenyl-6-[4-[4-(2-fluoro-N-[9-(4-methoxyphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]-N-(2-fluorophenyl)anilino]-1-(4-methoxyphenyl)-1-(4-prop-2-enoxyphenyl)inden-2-yl]pent-4-enoxy]ethoxy]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine (CID 167019646) is N-(3,4-difluorophenyl)-N-[4-[4-(N-[9-[4-[2-[(Z)-5-[3-ethenyl-6-[4-[4-(2-fluoro-N-[9-(4-methoxyphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]-N-(2-fluorophenyl)anilino]-1-(4-methoxyphenyl)-1-(4-prop-2-enoxyphenyl)inden-2-yl]pent-4-enoxy]ethoxy]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine.

What is the SMILES notation for N-(3,4-difluorophenyl)-N-[4-[4-(N-[9-[4-[2-[(Z)-5-[3-ethenyl-6-[4-[4-(2-fluoro-N-[9-(4-methoxyphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]-N-(2-fluorophenyl)anilino]-1-(4-methoxyphenyl)-1-(4-prop-2-enoxyphenyl)inden-2-yl]pent-4-enoxy]ethoxy]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine?

The canonical SMILES for N-(3,4-difluorophenyl)-N-[4-[4-(N-[9-[4-[2-[(Z)-5-[3-ethenyl-6-[4-[4-(2-fluoro-N-[9-(4-methoxyphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]-N-(2-fluorophenyl)anilino]-1-(4-methoxyphenyl)-1-(4-prop-2-enoxyphenyl)inden-2-yl]pent-4-enoxy]ethoxy]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine is C=CCOc1ccc(C2(c3ccc(OC)cc3)C(/C=C\CCCOCCOc3ccc(C4(c5ccc(OCC=C)cc5)c5ccccc5-c5ccc(N(c6ccc(-c7ccc(N(c8ccc(F)c(F)c8)c8ccc9c(c8)C(c8ccc(OCC=C)cc8)(c8ccc(OCCOCC)cc8)c8ccccc8-9)cc7)cc6)c6ccc(F)c(F)c6)cc54)cc3)=C(C=C)c3ccc(N(c4ccc(-c5ccc(N(c6ccc7c(c6)C(c6ccc(OC)cc6)(c6ccc(OCC=C)cc6)c6ccccc6-7)c6ccccc6F)cc5)cc4)c4ccccc4F)cc32)cc1.

What is the InChIKey of N-(3,4-difluorophenyl)-N-[4-[4-(N-[9-[4-[2-[(Z)-5-[3-ethenyl-6-[4-[4-(2-fluoro-N-[9-(4-methoxyphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]-N-(2-fluorophenyl)anilino]-1-(4-methoxyphenyl)-1-(4-prop-2-enoxyphenyl)inden-2-yl]pent-4-enoxy]ethoxy]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine?

The InChIKey is NRMNRHWTFXSPJH-ACXHZZMFSA-N. The full InChI is InChI=1S/C171H136F6N4O10/c1-9-99-186-138-81-51-120(52-82-138)168(118-47-77-136(182-7)78-48-118)152(144(13-5)148-93-73-132(110-156(148)168)180(166-37-25-23-35-162(166)174)128-67-43-116(44-68-128)117-45-69-129(70-46-117)181(167-38-26-24-36-163(167)175)133-74-96-151-147-30-19-20-32-153(147)169(159(151)111-133,119-49-79-137(183-8)80-50-119)121-53-83-139(84-54-121)187-100-10-2)31-16-15-27-103-185-105-107-191-143-91-61-125(62-92-143)171(123-57-87-141(88-58-123)189-102-12-4)155-34-22-18-29-146(155)150-95-72-131(109-158(150)171)179(135-76-98-161(173)165(177)113-135)127-65-41-115(42-66-127)114-39-63-126(64-40-114)178(134-75-97-160(172)164(176)112-134)130-71-94-149-145-28-17-21-33-154(145)170(157(149)108-130,122-55-85-140(86-56-122)188-101-11-3)124-59-89-142(90-60-124)190-106-104-184-14-6/h9-13,16-26,28-98,108-113H,1-5,14-15,27,99-107H2,6-8H3/b31-16-.

What are the key properties of N-(3,4-difluorophenyl)-N-[4-[4-(N-[9-[4-[2-[(Z)-5-[3-ethenyl-6-[4-[4-(2-fluoro-N-[9-(4-methoxyphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]-N-(2-fluorophenyl)anilino]-1-(4-methoxyphenyl)-1-(4-prop-2-enoxyphenyl)inden-2-yl]pent-4-enoxy]ethoxy]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine?

N-(3,4-difluorophenyl)-N-[4-[4-(N-[9-[4-[2-[(Z)-5-[3-ethenyl-6-[4-[4-(2-fluoro-N-[9-(4-methoxyphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]-N-(2-fluorophenyl)anilino]-1-(4-methoxyphenyl)-1-(4-prop-2-enoxyphenyl)inden-2-yl]pent-4-enoxy]ethoxy]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine has a molecular weight of 2520.97 g/mol, XLogP of 42.24, 51 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-difluorophenyl)-N-[4-[4-(N-[9-[4-[2-[(Z)-5-[3-ethenyl-6-[4-[4-(2-fluoro-N-[9-(4-methoxyphenyl)-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]anilino)phenyl]-N-(2-fluorophenyl)anilino]-1-(4-methoxyphenyl)-1-(4-prop-2-enoxyphenyl)inden-2-yl]pent-4-enoxy]ethoxy]phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-yl]-3,4-difluoroanilino)phenyl]phenyl]-9-[4-(2-ethoxyethoxy)phenyl]-9-(4-prop-2-enoxyphenyl)fluoren-2-amine is sourced from PubChem (CID 167019646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).