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

C69H54F2N6 — CID 59245854

IUPACN-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyrazin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyrazin-2-amine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(F)cc5)c5cnccn5)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(F)cc5)c5cnccn5)ccc3-4)cc21
InChIInChI=1S/C69H54F2N6/c1-67(2)59-35-43(7-9-45-13-27-55-57-29-23-51(39-63(57)68(3,4)61(55)37-45)76(65-41-72-31-33-74-65)49-19-15-47(70)16-20-49)11-25-53(59)54-26-12-44(36-60(54)67)8-10-46-14-28-56-58-30-24-52(40-64(58)69(5,6)62(56)38-46)77(66-42-73-32-34-75-66)50-21-17-48(71)18-22-50/h7-42H,1-6H3/b9-7+,10-8+
InChIKeyLXVGIWLKVHVJHF-FIFLTTCUSA-N
MW1005.23 g/mol
LogP17.74
Rot. Bonds10

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

N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyrazin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyrazin-2-amine (PubChem CID 59245854) has the molecular formula C69H54F2N6 and a molecular weight of 1005.23 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyrazin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyrazin-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyrazin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyrazin-2-amine
PubChem CID59245854
Molecular FormulaC69H54F2N6
Molecular Weight1005.23 g/mol
Exact Mass1004.44
IUPAC NameN-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyrazin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyrazin-2-amine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(F)cc5)c5cnccn5)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(F)cc5)c5cnccn5)ccc3-4)cc21
InChIInChI=1S/C69H54F2N6/c1-67(2)59-35-43(7-9-45-13-27-55-57-29-23-51(39-63(57)68(3,4)61(55)37-45)76(65-41-72-31-33-74-65)49-19-15-47(70)16-20-49)11-25-53(59)54-26-12-44(36-60(54)67)8-10-46-14-28-56-58-30-24-52(40-64(58)69(5,6)62(56)38-46)77(66-42-73-32-34-75-66)50-21-17-48(71)18-22-50/h7-42H,1-6H3/b9-7+,10-8+
InChIKeyLXVGIWLKVHVJHF-FIFLTTCUSA-N
XLogP17.74
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.23
LogP ≤ 517.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyrazin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyrazin-2-amine?
The IUPAC name of N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyrazin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyrazin-2-amine (CID 59245854) is N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyrazin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyrazin-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyrazin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyrazin-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyrazin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyrazin-2-amine is CC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(F)cc5)c5cnccn5)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(F)cc5)c5cnccn5)ccc3-4)cc21.
What is the InChIKey of N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyrazin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyrazin-2-amine?
The InChIKey is LXVGIWLKVHVJHF-FIFLTTCUSA-N. The full InChI is InChI=1S/C69H54F2N6/c1-67(2)59-35-43(7-9-45-13-27-55-57-29-23-51(39-63(57)68(3,4)61(55)37-45)76(65-41-72-31-33-74-65)49-19-15-47(70)16-20-49)11-25-53(59)54-26-12-44(36-60(54)67)8-10-46-14-28-56-58-30-24-52(40-64(58)69(5,6)62(56)38-46)77(66-42-73-32-34-75-66)50-21-17-48(71)18-22-50/h7-42H,1-6H3/b9-7+,10-8+.
What are the key properties of N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyrazin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyrazin-2-amine?
N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyrazin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyrazin-2-amine has a molecular weight of 1005.23 g/mol, XLogP of 17.74, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyrazin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyrazin-2-amine is sourced from PubChem (CID 59245854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).