N-(9,9-dimethylfluoren-2-yl)-9-fluoro-N-[3-[2-(3-fluoro-N-(3-phenylphenyl)anilino)phenyl]phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazol-3-amine

C69H47F2N3O — CID 126701769

IUPACN-(9,9-dimethylfluoren-2-yl)-9-fluoro-N-[3-[2-(3-fluoro-N-(3-phenylphenyl)anilino)phenyl]phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4N(c4cccc(F)c4)c4cccc(-c5ccccc5)c4)c3)c3ccc4c(c3)c3ccc5c6ccc(F)cc6oc5c3n4-c3ccccc3)cc21
InChIInChI=1S/C69H47F2N3O/c1-69(2)62-28-11-9-27-56(62)57-34-31-54(43-63(57)69)72(53-32-37-65-61(42-53)59-35-36-60-58-33-30-48(71)41-66(58)75-68(60)67(59)74(65)49-21-7-4-8-22-49)50-23-14-19-46(39-50)55-26-10-12-29-64(55)73(52-25-15-20-47(70)40-52)51-24-13-18-45(38-51)44-16-5-3-6-17-44/h3-43H,1-2H3
InChIKeyQYBRYRVYRUAKPQ-UHFFFAOYSA-N
MW972.15 g/mol
LogP19.54
Rot. Bonds9

About N-(9,9-dimethylfluoren-2-yl)-9-fluoro-N-[3-[2-(3-fluoro-N-(3-phenylphenyl)anilino)phenyl]phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazol-3-amine

N-(9,9-dimethylfluoren-2-yl)-9-fluoro-N-[3-[2-(3-fluoro-N-(3-phenylphenyl)anilino)phenyl]phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazol-3-amine (PubChem CID 126701769) has the molecular formula C69H47F2N3O and a molecular weight of 972.15 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9-fluoro-N-[3-[2-(3-fluoro-N-(3-phenylphenyl)anilino)phenyl]phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazol-3-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9-fluoro-N-[3-[2-(3-fluoro-N-(3-phenylphenyl)anilino)phenyl]phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazol-3-amine
PubChem CID126701769
Molecular FormulaC69H47F2N3O
Molecular Weight972.15 g/mol
Exact Mass971.37
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9-fluoro-N-[3-[2-(3-fluoro-N-(3-phenylphenyl)anilino)phenyl]phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazol-3-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4N(c4cccc(F)c4)c4cccc(-c5ccccc5)c4)c3)c3ccc4c(c3)c3ccc5c6ccc(F)cc6oc5c3n4-c3ccccc3)cc21
InChIInChI=1S/C69H47F2N3O/c1-69(2)62-28-11-9-27-56(62)57-34-31-54(43-63(57)69)72(53-32-37-65-61(42-53)59-35-36-60-58-33-30-48(71)41-66(58)75-68(60)67(59)74(65)49-21-7-4-8-22-49)50-23-14-19-46(39-50)55-26-10-12-29-64(55)73(52-25-15-20-47(70)40-52)51-24-13-18-45(38-51)44-16-5-3-6-17-44/h3-43H,1-2H3
InChIKeyQYBRYRVYRUAKPQ-UHFFFAOYSA-N
XLogP19.54
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500972.15
LogP ≤ 519.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(9,9-dimethylfluoren-2-yl)-9-fluoro-N-[3-[2-(3-fluoro-N-(3-phenylphenyl)anilino)phenyl]phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazol-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-fluoro-N-[3-[2-(3-fluoro-N-(3-phenylphenyl)anilino)phenyl]phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazol-3-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9-fluoro-N-[3-[2-(3-fluoro-N-(3-phenylphenyl)anilino)phenyl]phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazol-3-amine (CID 126701769) is N-(9,9-dimethylfluoren-2-yl)-9-fluoro-N-[3-[2-(3-fluoro-N-(3-phenylphenyl)anilino)phenyl]phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazol-3-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9-fluoro-N-[3-[2-(3-fluoro-N-(3-phenylphenyl)anilino)phenyl]phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazol-3-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9-fluoro-N-[3-[2-(3-fluoro-N-(3-phenylphenyl)anilino)phenyl]phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazol-3-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4N(c4cccc(F)c4)c4cccc(-c5ccccc5)c4)c3)c3ccc4c(c3)c3ccc5c6ccc(F)cc6oc5c3n4-c3ccccc3)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9-fluoro-N-[3-[2-(3-fluoro-N-(3-phenylphenyl)anilino)phenyl]phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazol-3-amine?
The InChIKey is QYBRYRVYRUAKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47F2N3O/c1-69(2)62-28-11-9-27-56(62)57-34-31-54(43-63(57)69)72(53-32-37-65-61(42-53)59-35-36-60-58-33-30-48(71)41-66(58)75-68(60)67(59)74(65)49-21-7-4-8-22-49)50-23-14-19-46(39-50)55-26-10-12-29-64(55)73(52-25-15-20-47(70)40-52)51-24-13-18-45(38-51)44-16-5-3-6-17-44/h3-43H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9-fluoro-N-[3-[2-(3-fluoro-N-(3-phenylphenyl)anilino)phenyl]phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazol-3-amine?
N-(9,9-dimethylfluoren-2-yl)-9-fluoro-N-[3-[2-(3-fluoro-N-(3-phenylphenyl)anilino)phenyl]phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazol-3-amine has a molecular weight of 972.15 g/mol, XLogP of 19.54, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9-fluoro-N-[3-[2-(3-fluoro-N-(3-phenylphenyl)anilino)phenyl]phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazol-3-amine is sourced from PubChem (CID 126701769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).