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

C71H56F2N4 — CID 59245961

IUPACN-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(F)cc5)c5cccnc5)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(F)cc5)c5cccnc5)ccc3-4)cc21
InChIInChI=1S/C71H56F2N4/c1-69(2)63-37-45(11-13-47-17-31-59-61-33-27-53(41-67(61)70(3,4)65(59)39-47)76(55-9-7-35-74-43-55)51-23-19-49(72)20-24-51)15-29-57(63)58-30-16-46(38-64(58)69)12-14-48-18-32-60-62-34-28-54(42-68(62)71(5,6)66(60)40-48)77(56-10-8-36-75-44-56)52-25-21-50(73)22-26-52/h7-44H,1-6H3/b13-11+,14-12+
InChIKeyQRCNBJBPRRGOCF-PHEQNACWSA-N
MW1003.25 g/mol
LogP18.95
Rot. Bonds10

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

N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine (PubChem CID 59245961) has the molecular formula C71H56F2N4 and a molecular weight of 1003.25 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine
PubChem CID59245961
Molecular FormulaC71H56F2N4
Molecular Weight1003.25 g/mol
Exact Mass1002.45
IUPAC NameN-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(F)cc5)c5cccnc5)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(F)cc5)c5cccnc5)ccc3-4)cc21
InChIInChI=1S/C71H56F2N4/c1-69(2)63-37-45(11-13-47-17-31-59-61-33-27-53(41-67(61)70(3,4)65(59)39-47)76(55-9-7-35-74-43-55)51-23-19-49(72)20-24-51)15-29-57(63)58-30-16-46(38-64(58)69)12-14-48-18-32-60-62-34-28-54(42-68(62)71(5,6)66(60)40-48)77(56-10-8-36-75-44-56)52-25-21-50(73)22-26-52/h7-44H,1-6H3/b13-11+,14-12+
InChIKeyQRCNBJBPRRGOCF-PHEQNACWSA-N
XLogP18.95
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001003.25
LogP ≤ 518.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine?
The IUPAC name of N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine (CID 59245961) is N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine.
What is the SMILES notation for N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine?
The canonical SMILES for N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine is CC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(F)cc5)c5cccnc5)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(F)cc5)c5cccnc5)ccc3-4)cc21.
What is the InChIKey of N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine?
The InChIKey is QRCNBJBPRRGOCF-PHEQNACWSA-N. The full InChI is InChI=1S/C71H56F2N4/c1-69(2)63-37-45(11-13-47-17-31-59-61-33-27-53(41-67(61)70(3,4)65(59)39-47)76(55-9-7-35-74-43-55)51-23-19-49(72)20-24-51)15-29-57(63)58-30-16-46(38-64(58)69)12-14-48-18-32-60-62-34-28-54(42-68(62)71(5,6)66(60)40-48)77(56-10-8-36-75-44-56)52-25-21-50(73)22-26-52/h7-44H,1-6H3/b13-11+,14-12+.
What are the key properties of N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine?
N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine has a molecular weight of 1003.25 g/mol, XLogP of 18.95, 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-[7-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine is sourced from PubChem (CID 59245961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).