2-[(9Z)-9-[[3,5-bis(trifluoromethyl)phenyl]methylidene]-7-phenylfluoren-2-yl]-9,9-dioctyl-7-phenylfluorene

C63H60F6 — CID 58969152

IUPAC2-[(9Z)-9-[[3,5-bis(trifluoromethyl)phenyl]methylidene]-7-phenylfluoren-2-yl]-9,9-dioctyl-7-phenylfluorene
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)/C(=C\c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3cc(-c5ccccc5)ccc3-4)cc21
InChIInChI=1S/C63H60F6/c1-3-5-7-9-11-19-33-61(34-20-12-10-8-6-4-2)59-40-48(45-23-17-14-18-24-45)27-31-54(59)55-32-28-49(41-60(55)61)47-26-30-53-52-29-25-46(44-21-15-13-16-22-44)38-57(52)56(58(53)39-47)37-43-35-50(62(64,65)66)42-51(36-43)63(67,68)69/h13-18,21-32,35-42H,3-12,19-20,33-34H2,1-2H3/b56-37-
InChIKeyHLPNJEBWOZYXSB-OYTPLCDKSA-N
MW931.16 g/mol
LogP20.06
Rot. Bonds18

About 2-[(9Z)-9-[[3,5-bis(trifluoromethyl)phenyl]methylidene]-7-phenylfluoren-2-yl]-9,9-dioctyl-7-phenylfluorene

2-[(9Z)-9-[[3,5-bis(trifluoromethyl)phenyl]methylidene]-7-phenylfluoren-2-yl]-9,9-dioctyl-7-phenylfluorene (PubChem CID 58969152) has the molecular formula C63H60F6 and a molecular weight of 931.16 g/mol. Its IUPAC name is 2-[(9Z)-9-[[3,5-bis(trifluoromethyl)phenyl]methylidene]-7-phenylfluoren-2-yl]-9,9-dioctyl-7-phenylfluorene.

Molecular Properties

Compound Name2-[(9Z)-9-[[3,5-bis(trifluoromethyl)phenyl]methylidene]-7-phenylfluoren-2-yl]-9,9-dioctyl-7-phenylfluorene
PubChem CID58969152
Molecular FormulaC63H60F6
Molecular Weight931.16 g/mol
Exact Mass930.46
IUPAC Name2-[(9Z)-9-[[3,5-bis(trifluoromethyl)phenyl]methylidene]-7-phenylfluoren-2-yl]-9,9-dioctyl-7-phenylfluorene
SMILESCCCCCCCCC1(CCCCCCCC)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)/C(=C\c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3cc(-c5ccccc5)ccc3-4)cc21
InChIInChI=1S/C63H60F6/c1-3-5-7-9-11-19-33-61(34-20-12-10-8-6-4-2)59-40-48(45-23-17-14-18-24-45)27-31-54(59)55-32-28-49(41-60(55)61)47-26-30-53-52-29-25-46(44-21-15-13-16-22-44)38-57(52)56(58(53)39-47)37-43-35-50(62(64,65)66)42-51(36-43)63(67,68)69/h13-18,21-32,35-42H,3-12,19-20,33-34H2,1-2H3/b56-37-
InChIKeyHLPNJEBWOZYXSB-OYTPLCDKSA-N
XLogP20.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500931.16
LogP ≤ 520.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 67454
CID 67454
CID 67448
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CID 96712
CID 96712
CID 11309256
CID 11309256
CID 68355
CID 68355
CID 53384287
CID 53384287
CID 5713154
CID 5713154
CID 12530632
CID 12530632
CID 519436
CID 519436
CID 16158722
CID 16158722
CID 10963069
CID 10963069
CID 122400473
CID 122400473

Frequently Asked Questions

What is the IUPAC name of 2-[(9Z)-9-[[3,5-bis(trifluoromethyl)phenyl]methylidene]-7-phenylfluoren-2-yl]-9,9-dioctyl-7-phenylfluorene?
The IUPAC name of 2-[(9Z)-9-[[3,5-bis(trifluoromethyl)phenyl]methylidene]-7-phenylfluoren-2-yl]-9,9-dioctyl-7-phenylfluorene (CID 58969152) is 2-[(9Z)-9-[[3,5-bis(trifluoromethyl)phenyl]methylidene]-7-phenylfluoren-2-yl]-9,9-dioctyl-7-phenylfluorene.
What is the SMILES notation for 2-[(9Z)-9-[[3,5-bis(trifluoromethyl)phenyl]methylidene]-7-phenylfluoren-2-yl]-9,9-dioctyl-7-phenylfluorene?
The canonical SMILES for 2-[(9Z)-9-[[3,5-bis(trifluoromethyl)phenyl]methylidene]-7-phenylfluoren-2-yl]-9,9-dioctyl-7-phenylfluorene is CCCCCCCCC1(CCCCCCCC)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc4c(c3)/C(=C\c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3cc(-c5ccccc5)ccc3-4)cc21.
What is the InChIKey of 2-[(9Z)-9-[[3,5-bis(trifluoromethyl)phenyl]methylidene]-7-phenylfluoren-2-yl]-9,9-dioctyl-7-phenylfluorene?
The InChIKey is HLPNJEBWOZYXSB-OYTPLCDKSA-N. The full InChI is InChI=1S/C63H60F6/c1-3-5-7-9-11-19-33-61(34-20-12-10-8-6-4-2)59-40-48(45-23-17-14-18-24-45)27-31-54(59)55-32-28-49(41-60(55)61)47-26-30-53-52-29-25-46(44-21-15-13-16-22-44)38-57(52)56(58(53)39-47)37-43-35-50(62(64,65)66)42-51(36-43)63(67,68)69/h13-18,21-32,35-42H,3-12,19-20,33-34H2,1-2H3/b56-37-.
What are the key properties of 2-[(9Z)-9-[[3,5-bis(trifluoromethyl)phenyl]methylidene]-7-phenylfluoren-2-yl]-9,9-dioctyl-7-phenylfluorene?
2-[(9Z)-9-[[3,5-bis(trifluoromethyl)phenyl]methylidene]-7-phenylfluoren-2-yl]-9,9-dioctyl-7-phenylfluorene has a molecular weight of 931.16 g/mol, XLogP of 20.06, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9Z)-9-[[3,5-bis(trifluoromethyl)phenyl]methylidene]-7-phenylfluoren-2-yl]-9,9-dioctyl-7-phenylfluorene is sourced from PubChem (CID 58969152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).