2-[3,5-bis[7-(2,4-difluorophenyl)-9,9-didodecylfluoren-2-yl]phenyl]-7-[7-(9,9-didodecylfluoren-2-yl)-9H-fluoren-2-yl]-9,9-didodecylfluorene

C179H242F4 — CID 102254188

IUPAC2-[3,5-bis[7-(2,4-difluorophenyl)-9,9-didodecylfluoren-2-yl]phenyl]-7-[7-(9,9-didodecylfluoren-2-yl)-9H-fluoren-2-yl]-9,9-didodecylfluorene
SMILESCCCCCCCCCCCCC1(CCCCCCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)Cc3cc(-c5ccc6c(c5)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)c5cc(-c7cc(-c8ccc9c(c8)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)c8cc(-c%10ccc(F)cc%10F)ccc8-9)cc(-c8ccc9c(c8)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)c8cc(-c%10ccc(F)cc%10F)ccc8-9)c7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C179H242F4/c1-9-17-25-33-41-49-57-65-73-83-115-176(116-84-74-66-58-50-42-34-26-18-10-2)166-92-82-81-91-158(166)159-106-95-140(129-167(159)176)138-93-104-154-150(123-138)128-151-124-139(94-105-155(151)154)141-96-107-160-161-108-97-142(131-169(161)177(168(160)130-141,117-85-75-67-59-51-43-35-27-19-11-3)118-86-76-68-60-52-44-36-28-20-12-4)147-125-148(143-98-109-162-164-111-100-145(156-113-102-152(180)136-174(156)182)134-172(164)178(170(162)132-143,119-87-77-69-61-53-45-37-29-21-13-5)120-88-78-70-62-54-46-38-30-22-14-6)127-149(126-147)144-99-110-163-165-112-101-146(157-114-103-153(181)137-175(157)183)135-173(165)179(171(163)133-144,121-89-79-71-63-55-47-39-31-23-15-7)122-90-80-72-64-56-48-40-32-24-16-8/h81-82,91-114,123-127,129-137H,9-80,83-90,115-122,128H2,1-8H3
InChIKeyIICFVFWEYMSITQ-UHFFFAOYSA-N
MW2469.90 g/mol
LogP59.04
Rot. Bonds95

About 2-[3,5-bis[7-(2,4-difluorophenyl)-9,9-didodecylfluoren-2-yl]phenyl]-7-[7-(9,9-didodecylfluoren-2-yl)-9H-fluoren-2-yl]-9,9-didodecylfluorene

2-[3,5-bis[7-(2,4-difluorophenyl)-9,9-didodecylfluoren-2-yl]phenyl]-7-[7-(9,9-didodecylfluoren-2-yl)-9H-fluoren-2-yl]-9,9-didodecylfluorene (PubChem CID 102254188) has the molecular formula C179H242F4 and a molecular weight of 2469.90 g/mol. Its IUPAC name is 2-[3,5-bis[7-(2,4-difluorophenyl)-9,9-didodecylfluoren-2-yl]phenyl]-7-[7-(9,9-didodecylfluoren-2-yl)-9H-fluoren-2-yl]-9,9-didodecylfluorene.

Molecular Properties

Compound Name2-[3,5-bis[7-(2,4-difluorophenyl)-9,9-didodecylfluoren-2-yl]phenyl]-7-[7-(9,9-didodecylfluoren-2-yl)-9H-fluoren-2-yl]-9,9-didodecylfluorene
PubChem CID102254188
Molecular FormulaC179H242F4
Molecular Weight2469.90 g/mol
Exact Mass2467.89
IUPAC Name2-[3,5-bis[7-(2,4-difluorophenyl)-9,9-didodecylfluoren-2-yl]phenyl]-7-[7-(9,9-didodecylfluoren-2-yl)-9H-fluoren-2-yl]-9,9-didodecylfluorene
SMILESCCCCCCCCCCCCC1(CCCCCCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)Cc3cc(-c5ccc6c(c5)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)c5cc(-c7cc(-c8ccc9c(c8)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)c8cc(-c%10ccc(F)cc%10F)ccc8-9)cc(-c8ccc9c(c8)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)c8cc(-c%10ccc(F)cc%10F)ccc8-9)c7)ccc5-6)ccc3-4)cc21
InChIInChI=1S/C179H242F4/c1-9-17-25-33-41-49-57-65-73-83-115-176(116-84-74-66-58-50-42-34-26-18-10-2)166-92-82-81-91-158(166)159-106-95-140(129-167(159)176)138-93-104-154-150(123-138)128-151-124-139(94-105-155(151)154)141-96-107-160-161-108-97-142(131-169(161)177(168(160)130-141,117-85-75-67-59-51-43-35-27-19-11-3)118-86-76-68-60-52-44-36-28-20-12-4)147-125-148(143-98-109-162-164-111-100-145(156-113-102-152(180)136-174(156)182)134-172(164)178(170(162)132-143,119-87-77-69-61-53-45-37-29-21-13-5)120-88-78-70-62-54-46-38-30-22-14-6)127-149(126-147)144-99-110-163-165-112-101-146(157-114-103-153(181)137-175(157)183)135-173(165)179(171(163)133-144,121-89-79-71-63-55-47-39-31-23-15-7)122-90-80-72-64-56-48-40-32-24-16-8/h81-82,91-114,123-127,129-137H,9-80,83-90,115-122,128H2,1-8H3
InChIKeyIICFVFWEYMSITQ-UHFFFAOYSA-N
XLogP59.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds95
Heavy Atoms183
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002469.90
LogP ≤ 559.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-[3,5-bis[7-(2,4-difluorophenyl)-9,9-didodecylfluoren-2-yl]phenyl]-7-[7-(9,9-didodecylfluoren-2-yl)-9H-fluoren-2-yl]-9,9-didodecylfluorene with MolForge

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Related Compounds

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CID 102433649
4-[4-[7-(9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]phenyl]phenol
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CID 59512955
7,7,24,24-tetraoctylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8,10,12,15,19,21,23(31),25,27,29,32-pentadecaene
CID 101489887
9,9-didodecyl-2,7-diphenylfluorene
CID 139911375
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2-chloro-7-(9,9-dioctylfluoren-2-yl)-9,9-dimethylfluorene
CID 138569718
9,9-didodecyl-N-[4-(9H-fluoren-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[7-(2,4-difluorophenyl)-9,9-didodecylfluoren-2-yl]phenyl]-7-[7-(9,9-didodecylfluoren-2-yl)-9H-fluoren-2-yl]-9,9-didodecylfluorene?
The IUPAC name of 2-[3,5-bis[7-(2,4-difluorophenyl)-9,9-didodecylfluoren-2-yl]phenyl]-7-[7-(9,9-didodecylfluoren-2-yl)-9H-fluoren-2-yl]-9,9-didodecylfluorene (CID 102254188) is 2-[3,5-bis[7-(2,4-difluorophenyl)-9,9-didodecylfluoren-2-yl]phenyl]-7-[7-(9,9-didodecylfluoren-2-yl)-9H-fluoren-2-yl]-9,9-didodecylfluorene.
What is the SMILES notation for 2-[3,5-bis[7-(2,4-difluorophenyl)-9,9-didodecylfluoren-2-yl]phenyl]-7-[7-(9,9-didodecylfluoren-2-yl)-9H-fluoren-2-yl]-9,9-didodecylfluorene?
The canonical SMILES for 2-[3,5-bis[7-(2,4-difluorophenyl)-9,9-didodecylfluoren-2-yl]phenyl]-7-[7-(9,9-didodecylfluoren-2-yl)-9H-fluoren-2-yl]-9,9-didodecylfluorene is CCCCCCCCCCCCC1(CCCCCCCCCCCC)c2ccccc2-c2ccc(-c3ccc4c(c3)Cc3cc(-c5ccc6c(c5)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)c5cc(-c7cc(-c8ccc9c(c8)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)c8cc(-c%10ccc(F)cc%10F)ccc8-9)cc(-c8ccc9c(c8)C(CCCCCCCCCCCC)(CCCCCCCCCCCC)c8cc(-c%10ccc(F)cc%10F)ccc8-9)c7)ccc5-6)ccc3-4)cc21.
What is the InChIKey of 2-[3,5-bis[7-(2,4-difluorophenyl)-9,9-didodecylfluoren-2-yl]phenyl]-7-[7-(9,9-didodecylfluoren-2-yl)-9H-fluoren-2-yl]-9,9-didodecylfluorene?
The InChIKey is IICFVFWEYMSITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C179H242F4/c1-9-17-25-33-41-49-57-65-73-83-115-176(116-84-74-66-58-50-42-34-26-18-10-2)166-92-82-81-91-158(166)159-106-95-140(129-167(159)176)138-93-104-154-150(123-138)128-151-124-139(94-105-155(151)154)141-96-107-160-161-108-97-142(131-169(161)177(168(160)130-141,117-85-75-67-59-51-43-35-27-19-11-3)118-86-76-68-60-52-44-36-28-20-12-4)147-125-148(143-98-109-162-164-111-100-145(156-113-102-152(180)136-174(156)182)134-172(164)178(170(162)132-143,119-87-77-69-61-53-45-37-29-21-13-5)120-88-78-70-62-54-46-38-30-22-14-6)127-149(126-147)144-99-110-163-165-112-101-146(157-114-103-153(181)137-175(157)183)135-173(165)179(171(163)133-144,121-89-79-71-63-55-47-39-31-23-15-7)122-90-80-72-64-56-48-40-32-24-16-8/h81-82,91-114,123-127,129-137H,9-80,83-90,115-122,128H2,1-8H3.
What are the key properties of 2-[3,5-bis[7-(2,4-difluorophenyl)-9,9-didodecylfluoren-2-yl]phenyl]-7-[7-(9,9-didodecylfluoren-2-yl)-9H-fluoren-2-yl]-9,9-didodecylfluorene?
2-[3,5-bis[7-(2,4-difluorophenyl)-9,9-didodecylfluoren-2-yl]phenyl]-7-[7-(9,9-didodecylfluoren-2-yl)-9H-fluoren-2-yl]-9,9-didodecylfluorene has a molecular weight of 2469.90 g/mol, XLogP of 59.04, 95 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[7-(2,4-difluorophenyl)-9,9-didodecylfluoren-2-yl]phenyl]-7-[7-(9,9-didodecylfluoren-2-yl)-9H-fluoren-2-yl]-9,9-didodecylfluorene is sourced from PubChem (CID 102254188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).