N-(4-fluorophenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine

C62H48F2N4 — CID 59246247

IUPACN-(4-fluorophenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine
SMILESCC1(C)c2cc(/C=C/c3ccc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(N(c6ccc(F)cc6)c6cccnc6)ccc4-5)cc3)ccc2-c2ccc(N(c3ccc(F)cc3)c3cccnc3)cc21
InChIInChI=1S/C62H48F2N4/c1-61(2)57-35-43(17-29-53(57)55-31-27-49(37-59(55)61)67(51-7-5-33-65-39-51)47-23-19-45(63)20-24-47)15-13-41-9-11-42(12-10-41)14-16-44-18-30-54-56-32-28-50(38-60(56)62(3,4)58(54)36-44)68(52-8-6-34-66-40-52)48-25-21-46(64)22-26-48/h5-40H,1-4H3/b15-13+,16-14+
InChIKeyLZZWPSOMAUNLKJ-WXUKJITCSA-N
MW887.09 g/mol
LogP16.65
Rot. Bonds10

About N-(4-fluorophenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine

N-(4-fluorophenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine (PubChem CID 59246247) has the molecular formula C62H48F2N4 and a molecular weight of 887.09 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine
PubChem CID59246247
Molecular FormulaC62H48F2N4
Molecular Weight887.09 g/mol
Exact Mass886.38
IUPAC NameN-(4-fluorophenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine
SMILESCC1(C)c2cc(/C=C/c3ccc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(N(c6ccc(F)cc6)c6cccnc6)ccc4-5)cc3)ccc2-c2ccc(N(c3ccc(F)cc3)c3cccnc3)cc21
InChIInChI=1S/C62H48F2N4/c1-61(2)57-35-43(17-29-53(57)55-31-27-49(37-59(55)61)67(51-7-5-33-65-39-51)47-23-19-45(63)20-24-47)15-13-41-9-11-42(12-10-41)14-16-44-18-30-54-56-32-28-50(38-60(56)62(3,4)58(54)36-44)68(52-8-6-34-66-40-52)48-25-21-46(64)22-26-48/h5-40H,1-4H3/b15-13+,16-14+
InChIKeyLZZWPSOMAUNLKJ-WXUKJITCSA-N
XLogP16.65
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.09
LogP ≤ 516.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-fluorophenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine?
The IUPAC name of N-(4-fluorophenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine (CID 59246247) is N-(4-fluorophenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine.
What is the SMILES notation for N-(4-fluorophenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine?
The canonical SMILES for N-(4-fluorophenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine is CC1(C)c2cc(/C=C/c3ccc(/C=C/c4ccc5c(c4)C(C)(C)c4cc(N(c6ccc(F)cc6)c6cccnc6)ccc4-5)cc3)ccc2-c2ccc(N(c3ccc(F)cc3)c3cccnc3)cc21.
What is the InChIKey of N-(4-fluorophenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine?
The InChIKey is LZZWPSOMAUNLKJ-WXUKJITCSA-N. The full InChI is InChI=1S/C62H48F2N4/c1-61(2)57-35-43(17-29-53(57)55-31-27-49(37-59(55)61)67(51-7-5-33-65-39-51)47-23-19-45(63)20-24-47)15-13-41-9-11-42(12-10-41)14-16-44-18-30-54-56-32-28-50(38-60(56)62(3,4)58(54)36-44)68(52-8-6-34-66-40-52)48-25-21-46(64)22-26-48/h5-40H,1-4H3/b15-13+,16-14+.
What are the key properties of N-(4-fluorophenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine?
N-(4-fluorophenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine has a molecular weight of 887.09 g/mol, XLogP of 16.65, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[7-[(E)-2-[4-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine is sourced from PubChem (CID 59246247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).