9,9-bis[4-[(4-ethenylphenyl)methoxy]phenyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine

C75H56N2O2 — CID 101475253

IUPAC9,9-bis[4-[(4-ethenylphenyl)methoxy]phenyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
SMILESC=Cc1ccc(COc2ccc(C3(c4ccc(OCc5ccc(C=C)cc5)cc4)c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc43)cc2)cc1
InChIInChI=1S/C75H56N2O2/c1-3-53-29-33-55(34-30-53)51-78-65-43-37-59(38-44-65)75(60-39-45-66(46-40-60)79-52-56-35-31-54(4-2)32-36-56)71-49-63(76(61-21-7-5-8-22-61)73-27-15-19-57-17-11-13-25-67(57)73)41-47-69(71)70-48-42-64(50-72(70)75)77(62-23-9-6-10-24-62)74-28-16-20-58-18-12-14-26-68(58)74/h3-50H,1-2,51-52H2
InChIKeyPMUGSGCLIGRQQL-UHFFFAOYSA-N
MW1017.28 g/mol
LogP19.74
Rot. Bonds16

About 9,9-bis[4-[(4-ethenylphenyl)methoxy]phenyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine

9,9-bis[4-[(4-ethenylphenyl)methoxy]phenyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine (PubChem CID 101475253) has the molecular formula C75H56N2O2 and a molecular weight of 1017.28 g/mol. Its IUPAC name is 9,9-bis[4-[(4-ethenylphenyl)methoxy]phenyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine.

Molecular Properties

Compound Name9,9-bis[4-[(4-ethenylphenyl)methoxy]phenyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
PubChem CID101475253
Molecular FormulaC75H56N2O2
Molecular Weight1017.28 g/mol
Exact Mass1016.43
IUPAC Name9,9-bis[4-[(4-ethenylphenyl)methoxy]phenyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
SMILESC=Cc1ccc(COc2ccc(C3(c4ccc(OCc5ccc(C=C)cc5)cc4)c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc43)cc2)cc1
InChIInChI=1S/C75H56N2O2/c1-3-53-29-33-55(34-30-53)51-78-65-43-37-59(38-44-65)75(60-39-45-66(46-40-60)79-52-56-35-31-54(4-2)32-36-56)71-49-63(76(61-21-7-5-8-22-61)73-27-15-19-57-17-11-13-25-67(57)73)41-47-69(71)70-48-42-64(50-72(70)75)77(62-23-9-6-10-24-62)74-28-16-20-58-18-12-14-26-68(58)74/h3-50H,1-2,51-52H2
InChIKeyPMUGSGCLIGRQQL-UHFFFAOYSA-N
XLogP19.74
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001017.28
LogP ≤ 519.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9,9-bis[4-[(4-ethenylphenyl)methoxy]phenyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine?
The IUPAC name of 9,9-bis[4-[(4-ethenylphenyl)methoxy]phenyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine (CID 101475253) is 9,9-bis[4-[(4-ethenylphenyl)methoxy]phenyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine.
What is the SMILES notation for 9,9-bis[4-[(4-ethenylphenyl)methoxy]phenyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine?
The canonical SMILES for 9,9-bis[4-[(4-ethenylphenyl)methoxy]phenyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine is C=Cc1ccc(COc2ccc(C3(c4ccc(OCc5ccc(C=C)cc5)cc4)c4cc(N(c5ccccc5)c5cccc6ccccc56)ccc4-c4ccc(N(c5ccccc5)c5cccc6ccccc56)cc43)cc2)cc1.
What is the InChIKey of 9,9-bis[4-[(4-ethenylphenyl)methoxy]phenyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine?
The InChIKey is PMUGSGCLIGRQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H56N2O2/c1-3-53-29-33-55(34-30-53)51-78-65-43-37-59(38-44-65)75(60-39-45-66(46-40-60)79-52-56-35-31-54(4-2)32-36-56)71-49-63(76(61-21-7-5-8-22-61)73-27-15-19-57-17-11-13-25-67(57)73)41-47-69(71)70-48-42-64(50-72(70)75)77(62-23-9-6-10-24-62)74-28-16-20-58-18-12-14-26-68(58)74/h3-50H,1-2,51-52H2.
What are the key properties of 9,9-bis[4-[(4-ethenylphenyl)methoxy]phenyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine?
9,9-bis[4-[(4-ethenylphenyl)methoxy]phenyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine has a molecular weight of 1017.28 g/mol, XLogP of 19.74, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[4-[(4-ethenylphenyl)methoxy]phenyl]-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine is sourced from PubChem (CID 101475253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).