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

C71H56F2N4 — CID 59245979

IUPACN-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(F)cc5)c5ccccn5)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(F)cc5)c5ccccn5)ccc3-4)cc21
InChIInChI=1S/C71H56F2N4/c1-69(2)61-39-45(13-15-47-19-33-57-59-35-29-53(43-65(59)70(3,4)63(57)41-47)76(67-11-7-9-37-74-67)51-25-21-49(72)22-26-51)17-31-55(61)56-32-18-46(40-62(56)69)14-16-48-20-34-58-60-36-30-54(44-66(60)71(5,6)64(58)42-48)77(68-12-8-10-38-75-68)52-27-23-50(73)24-28-52/h7-44H,1-6H3/b15-13+,16-14+
InChIKeyPYTHOWWRXGNASM-WXUKJITCSA-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-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine

N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine (PubChem CID 59245979) 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-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine
PubChem CID59245979
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-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine
SMILESCC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(F)cc5)c5ccccn5)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(F)cc5)c5ccccn5)ccc3-4)cc21
InChIInChI=1S/C71H56F2N4/c1-69(2)61-39-45(13-15-47-19-33-57-59-35-29-53(43-65(59)70(3,4)63(57)41-47)76(67-11-7-9-37-74-67)51-25-21-49(72)22-26-51)17-31-55(61)56-32-18-46(40-62(56)69)14-16-48-20-34-58-60-36-30-54(44-66(60)71(5,6)64(58)42-48)77(68-12-8-10-38-75-68)52-27-23-50(73)24-28-52/h7-44H,1-6H3/b15-13+,16-14+
InChIKeyPYTHOWWRXGNASM-WXUKJITCSA-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine?
The IUPAC name of N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine (CID 59245979) is N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine is CC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(F)cc5)c5ccccn5)ccc3-4)ccc2-c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3cc(N(c5ccc(F)cc5)c5ccccn5)ccc3-4)cc21.
What is the InChIKey of N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine?
The InChIKey is PYTHOWWRXGNASM-WXUKJITCSA-N. The full InChI is InChI=1S/C71H56F2N4/c1-69(2)61-39-45(13-15-47-19-33-57-59-35-29-53(43-65(59)70(3,4)63(57)41-47)76(67-11-7-9-37-74-67)51-25-21-49(72)22-26-51)17-31-55(61)56-32-18-46(40-62(56)69)14-16-48-20-34-58-60-36-30-54(44-66(60)71(5,6)64(58)42-48)77(68-12-8-10-38-75-68)52-27-23-50(73)24-28-52/h7-44H,1-6H3/b15-13+,16-14+.
What are the key properties of N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine?
N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyridin-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-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-2-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-2-amine is sourced from PubChem (CID 59245979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).